TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 369.802 | Formula: C19H16ClN3O3
H donors: 3 H acceptors: 4 LogP: 3.44 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: N#CCCCOc1ccc(cc1)c1cn[nH]c1c1cc(Cl)c(cc1O)O
InChi: 1S/C19H16ClN3O3/c20-16-9-14(17(24)10-18(16)25)19-15(11-22-23-19)12-3-5-13(6-4-12)26-8-2-1-7-21/h3-6,9-11,24-25H,1-2,8H2,(H,22,23)
InChiKey: UHKRMOCPTKJVBO-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Saccharomyces cerevisiae	Hsp90 family chaperone HSP82	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma brucei gambiense	heat shock protein 83,heat shock protein	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus granulosus	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma cruzi	heat shock protein 85, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium falciparum	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Giardia lamblia	Heat shock protein HSP 90-alpha	Get druggable targets OG5_126623	All targets in OG5_126623
Cryptosporidium parvum	Hsp90	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus granulosus	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Treponema pallidum	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania donovani	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania infantum	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma cruzi	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Brugia malayi	Endoplasmin precursor	Get druggable targets OG5_126623	All targets in OG5_126623
Mycobacterium ulcerans	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium vivax	endoplasmin, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	Heat shock protein 83, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma congolense	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma congolense	Heat shock protein 83, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Brugia malayi	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Trichomonas vaginalis	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma cruzi	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania mexicana	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	ko:K09487 heat shock protein 90kDa beta, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma congolense	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	Get druggable targets OG5_126623	All targets in OG5_126623
Entamoeba histolytica	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus granulosus	endoplasmin	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania infantum	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Trichomonas vaginalis	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus multilocularis	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania braziliensis	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania donovani	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Entamoeba histolytica	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Neospora caninum	HSP90-like protein, related	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium vivax	heat shock protein 86, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Toxoplasma gondii	heat shock protein HSP90	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	Heat shock protein HSP 90-alpha, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trichomonas vaginalis	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania mexicana	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus multilocularis	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium knowlesi	endoplasmin, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma cruzi	heat shock protein 85, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Neospora caninum	HSP90, related	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium yoelii	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Giardia lamblia	Heat shock protein HSP 90-alpha	Get druggable targets OG5_126623	All targets in OG5_126623
Trichomonas vaginalis	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei gambiense	Heat shock protein 83, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma mansoni	heat shock protein	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei gambiense	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Candida albicans	hypothetical protein	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania infantum	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	IPR003367,Thrombospondin type 3 repeat;IPR002048,Calcium-binding EF-hand,domain-containing	Get druggable targets OG5_126623	All targets in OG5_126623
Candida albicans	heat shock protein	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma cruzi	heat shock protein 85, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	Heat shock protein HSP 90-beta, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Cryptosporidium hominis	heat shock protein 83	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania mexicana	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania braziliensis	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	Get druggable targets OG5_126623	All targets in OG5_126623
Babesia bovis	hsp90 protein	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma cruzi	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania braziliensis	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania braziliensis	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium yoelii	putative heat shock protein 81-2	Get druggable targets OG5_126623	All targets in OG5_126623
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium yoelii	heat shock 90 kDa protein homolog	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus multilocularis	heat shock protein	Get druggable targets OG5_126623	All targets in OG5_126623
Candida albicans	heat shock protein	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Theileria parva	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma mansoni	endoplasmin	Get druggable targets OG5_126623	All targets in OG5_126623
Giardia lamblia	Grp94/Hsp90	Get druggable targets OG5_126623	All targets in OG5_126623
Toxoplasma gondii	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus granulosus	heat shock protein	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Loa Loa (eye worm)	endoplasmin	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma mansoni	heat shock protein	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania infantum	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	Heat shock protein 83, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei gambiense	Heat shock protein 83, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma cruzi	Heat shock protein 83, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	ko:K04079 molecular chaperone HtpG, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus multilocularis	endoplasmin	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium knowlesi	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma mansoni	endoplasmin	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium berghei	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Loa Loa (eye worm)	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma cruzi	heat shock protein 85, putative	Get druggable targets OG5_126623	All targets in OG5_126623

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	ribonucleoside-diphosphate reductase small chain, putative	0.0067	0.0263	0.0332
Leishmania major	ribonucleoside-diphosphate reductase large chain, putative	0.1104	0.6711	1
Echinococcus granulosus	adam	0.0126	0.0631	0.0906
Brugia malayi	neuroendocrine convertase 1 precursor	0.0182	0.0976	0.1317
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0068	0.0272	0.0374
Schistosoma mansoni	ribonucleoside-diphosphate reductase alpha subunit	0.1104	0.6711	0.8961
Schistosoma mansoni	ribonucleoside-diphosphate reductase small chain	0.0067	0.0263	0.0351
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0054	0.0182	0.0243
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.0176	0.0939	0.1368
Echinococcus multilocularis	heat shock protein	0.0039	0.0092	0.01
Loa Loa (eye worm)	hypothetical protein	0.0052	0.017	0.017
Brugia malayi	Endoplasmin precursor	0.0039	0.0092	0.0123
Schistosoma mansoni	integrin alpha-ps	0.0247	0.1385	0.1849
Echinococcus granulosus	disintegrin and metalloproteinase	0.0037	0.0076	0.0077
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0124	0.0616	0.0885
Mycobacterium tuberculosis	Ribonucleoside-diphosphate reductase (beta chain) NrdB (ribonucleotide reductase small chain)	0.0067	0.0263	0.036
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0028	0.0025	0.0033
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0046	0.0132	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0832	0.5018	0.5018
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0195	0.0249
Echinococcus multilocularis	Furin 1	0.0068	0.0272	0.037
Schistosoma mansoni	heat shock protein	0.0039	0.0092	0.0122
Brugia malayi	ADAMTS-like protease	0.0052	0.017	0.023
Trypanosoma cruzi	ribonucleoside-diphosphate reductase small chain, putative	0.0067	0.0263	0.0332
Brugia malayi	ribonucleoside-diphosphate reductase large chain, putative	0.1104	0.6711	0.9054
Schistosoma mansoni	protein kinase	0.0124	0.0616	0.0823
Echinococcus multilocularis	subfamily M12B unassigned peptidase	0.0089	0.0399	0.0561
Brugia malayi	ribonucleotide reductase 2	0.0067	0.0263	0.0355
Schistosoma mansoni	hypothetical protein	0.0054	0.0182	0.0243
Trypanosoma cruzi	ribonucleoside-diphosphate reductase large chain, putative	0.1104	0.6711	1
Trypanosoma brucei	ribonucleoside-diphosphate reductase small chain	0.0067	0.0263	0.0259
Leishmania major	heat shock protein 83-1	0.0039	0.0092	0.0075
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0068	0.0272	0.0374
Onchocerca volvulus		0.0096	0.0442	0.9516
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0031	0.0042	0.0026
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0052	0.0172	0.0211
Leishmania major	heat shock protein 83-1	0.0039	0.0092	0.0075
Leishmania major	heat shock protein 83-1	0.0039	0.0092	0.0075
Toxoplasma gondii	heat shock protein 90, putative	0.0039	0.0092	0.0107
Schistosoma mansoni	apoptosis regulator bax	0.0054	0.0182	0.0243
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0176	0.0939	0.1459
Echinococcus multilocularis	ribonucleoside diphosphate reductase subunit	0.0067	0.0263	0.0356
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0195	0.0249
Echinococcus granulosus	TNFR CD27 30 40 95 cysteine rich region	0.0043	0.0118	0.0139
Plasmodium vivax	ribonucleoside-diphosphate reductase small chain, putative	0.0067	0.0263	0.0259
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0041	0.0105	0.0103
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0041	0.0105	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0025	0.0025
Leishmania major	heat shock protein 83-1	0.0039	0.0092	0.0075
Brugia malayi	Uncoordinated protein 44	0.0028	0.0025	0.0033
Schistosoma mansoni	cell polarity protein	0.0047	0.0139	0.0185
Trypanosoma cruzi	ribonucleoside-diphosphate reductase small chain, putative	0.0067	0.0263	0.0332
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0195	0.0249
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase subunit type II alpha	0.0109	0.0523	0.0523
Brugia malayi	eukaryotic initiation factor 4A	0.0048	0.0145	0.0196
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0289	0.1644	0.2195
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0195	0.0249
Toxoplasma gondii	ribonucleoside-diphosphate reductase large chain	0.1104	0.6711	1
Echinococcus granulosus	integrin alpha 3	0.0812	0.4896	0.7286
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0031	0.0042	0.0000028739
Echinococcus multilocularis	integrin alpha 3	0.0812	0.4896	0.7286
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.0068	0.0272	0.0363
Mycobacterium ulcerans	polyketide synthase Pks9	0.0034	0.0056	0.0023
Mycobacterium ulcerans	transcriptional regulator NrdR	0.0083	0.0366	0.0527
Leishmania major	heat shock protein 83-1	0.0039	0.0092	0.0075
Brugia malayi	hypothetical protein	0.0102	0.048	0.0647
Mycobacterium tuberculosis	Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein)	0.102	0.6192	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0399	0.0399
Brugia malayi	Integrin beta pat-3 precursor	0.0657	0.3935	0.5309
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.0801	0.4829	0.6515
Leishmania major	heat shock protein 83-1	0.0039	0.0092	0.0075
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0101	0.0478	0.0645
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0048	0.0145	0.0194
Leishmania major	heat shock protein 83-1	0.0039	0.0092	0.0075
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0042	0.011	0.011
Mycobacterium leprae	Polyketide synthase Pks13	0.0079	0.0341	0.0486
Leishmania major	eukaryotic initiation factor 4a, putative	0.0048	0.0145	0.0155
Echinococcus granulosus	heat shock protein	0.0039	0.0092	0.01
Trichomonas vaginalis	neuroendocrine convertase 2 precursor, putative	0.0056	0.0195	0.0249
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0028	0.0025	0.0033
Brugia malayi	Protein kinase domain containing protein	0.0029	0.0026	0.0036
Loa Loa (eye worm)	heat shock protein 90	0.0039	0.0092	0.0092
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0048	0.0145	0.0168
Schistosoma mansoni	dihydroceramide desaturase	0.0037	0.0076	0.0102
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0056	0.0193	0.0246
Schistosoma mansoni	netrin receptor unc5	0.0028	0.0025	0.0033
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0052	0.0172	0.0211
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0048	0.0145	0.018
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0145	0.0145
Trichomonas vaginalis	leucine-rich repeat protein, BspA family	0.0056	0.0195	0.0249
Schistosoma mansoni	integrin beta subunit	0.0382	0.2224	0.297
Trypanosoma brucei	ribonucleoside-diphosphate reductase small chain, putative	0.0067	0.0263	0.0259
Giardia lamblia	Furin precursor putative serine protease	0.0056	0.0195	0.3236
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0167	0.0225
Loa Loa (eye worm)	proprotein convertase 2	0.0068	0.0272	0.0272
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0052	0.0172	0.0211
Brugia malayi	Integrin alpha pat-2 precursor	0.1059	0.6433	0.8679
Echinococcus multilocularis	tumor necrosis factor receptor superfamily	0.0043	0.0118	0.0139
Schistosoma mansoni	protein kinase	0.0124	0.0616	0.0823
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0673	0.4033	0.5995
Echinococcus granulosus	endoplasmin	0.0031	0.0042	0.0026
Wolbachia endosymbiont of Brugia malayi	ribonucleotide-diphosphate reductase subunit alpha	0.102	0.6192	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0018	0.0018
Brugia malayi	Reprolysin	0.0052	0.0171	0.023
Plasmodium vivax	ribonucleoside-diphosphate reductase large chain, putative	0.1104	0.6711	1
Mycobacterium leprae	conserved hypothetical protein	0.0083	0.0366	0.0527
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0034	0.0056	0.0023
Brugia malayi	celfurPC protein	0.0233	0.1296	0.1749
Echinococcus multilocularis	Blood coagulation inhibitor, Disintegrin	0.0037	0.0076	0.0077
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0048	0.0145	0.0081
Schistosoma mansoni	hypothetical protein	0.0028	0.0025	0.0033
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0052	0.0172	0.0211
Echinococcus granulosus	subfamily M12B unassigned peptidase	0.0089	0.0399	0.0561
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0048	0.0145	0.018
Brugia malayi	Disintegrin family protein	0.0037	0.0076	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0247	0.1385	0.1385
Echinococcus granulosus	Furin 1	0.0068	0.0272	0.037
Wolbachia endosymbiont of Brugia malayi	ribonucleotide-diphosphate reductase subunit beta	0.0067	0.0263	0.0359
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0089	0.0399	0.0533
Echinococcus granulosus	integrin alpha ps	0.0475	0.28	0.4151
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0108	0.052	0.052
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0048	0.0145	0.0081
Loa Loa (eye worm)	acyl carrier protein	0.0025	0.0005	0.0005
Leishmania major	heat shock protein 83-1	0.0039	0.0092	0.0075
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.0176	0.0939	0.1368
Toxoplasma gondii	ribonucleoside-diphosphate reductase small subunit	0.0067	0.0263	0.0363
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0051	0.0167	0.0203
Treponema pallidum	ribonucleotide-diphosphate reductase subunit alpha	0.1104	0.6711	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0048	0.0145	0.0168
Brugia malayi	ADAM-TS Spacer 1 family protein	0.0052	0.017	0.023
Brugia malayi	angiogenesis inhibito	0.0052	0.017	0.023
Schistosoma mansoni	hypothetical protein	0.0056	0.0195	0.026
Echinococcus granulosus	furin	0.0289	0.1644	0.2422
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0022	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0076	0.0076
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0052	0.0172	0.0211
Leishmania major	heat shock protein 83-1	0.0039	0.0092	0.0075
Echinococcus multilocularis	integrin beta 2	0.0484	0.2857	0.4236
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0048	0.0145	0.0194
Loa Loa (eye worm)	ribonucleoside-diphosphate reductase large subunit	0.1104	0.6711	0.6711
Mycobacterium tuberculosis	Probable transcriptional regulatory protein NrdR	0.0083	0.0366	0.0527
Echinococcus multilocularis	TNFR CD27 30 40 95 cysteine rich region	0.0043	0.0118	0.0139
Trichomonas vaginalis	ribonucleoside-diphosphate reductase alpha chain, putative	0.102	0.6192	1
Toxoplasma gondii	type I fatty acid synthase, putative	0.0039	0.0091	0.0105
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0195	0.0249
Echinococcus multilocularis	endoplasmin	0.0031	0.0042	0.0026
Leishmania major	heat shock protein 83-1	0.0039	0.0092	0.0075
Schistosoma mansoni	hypothetical protein	0.0054	0.0182	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0052	0.017	0.017
Leishmania major	heat shock protein 83-1	0.0039	0.0092	0.0075
Schistosoma mansoni	endoplasmin	0.0039	0.0092	0.0122
Schistosoma mansoni	integrin alpha	0.1059	0.6433	0.8591
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0048	0.0145	0.0168
Brugia malayi	Guanylate kinase family protein	0.0052	0.0169	0.0227
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0041	0.0105	0.0103
Echinococcus multilocularis	disintegrin and metalloproteinase	0.0037	0.0076	0.0077
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.0092	0.0075
Echinococcus multilocularis	heat shock protein 90	0.0031	0.0042	0.0026
Loa Loa (eye worm)	guanylate kinase	0.0039	0.0089	0.0089
Trypanosoma brucei	ribonucleoside-diphosphate reductase small chain	0.0067	0.0263	0.0259
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0068	0.0272	0.0374
Loa Loa (eye worm)	fatty acid synthase	0.0054	0.0185	0.0185
Loa Loa (eye worm)	reprolysin	0.0089	0.0399	0.0399
Echinococcus multilocularis		0.0233	0.1296	0.1902
Leishmania major	eukaryotic initiation factor 4a, putative	0.0048	0.0145	0.0155
Chlamydia trachomatis	ribonucleoside-diphosphate reductase subunit alpha	0.1104	0.6711	1
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0079	0.0341	0.0486
Loa Loa (eye worm)	hypothetical protein	0.0289	0.1644	0.1644
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0052	0.0172	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0025	0.0025
Trichomonas vaginalis	proprotein convertase subtilisin/kexin type, putative	0.0056	0.0195	0.0249
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0036	0.0069	0.0073
Echinococcus multilocularis	neuroendocrine convertase 2	0.0182	0.0976	0.1423
Schistosoma mansoni	intracisternal A-particle retropepsin (A02 family)	0.1229	0.7489	1
Mycobacterium leprae	RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN)	0.102	0.6192	1
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0056	0.0193	0.0246
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0089	0.0399	0.0533
Echinococcus multilocularis	disks large 3	0.0047	0.0139	0.0171
Schistosoma mansoni	heat shock protein	0.0039	0.0092	0.0122
Loa Loa (eye worm)	ribonucleotide reductase M2 B	0.0067	0.0263	0.0263
Brugia malayi	Death domain containing protein	0.0028	0.0025	0.0033
Trichomonas vaginalis	hypothetical protein	0.0056	0.0195	0.0249
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0182	0.0182
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0195	0.0249
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.0092	0.0075
Echinococcus granulosus	neuroendocrine convertase 2	0.0182	0.0976	0.1423
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0056	0.0193	0.0246
Treponema pallidum	ribonucleotide-diphosphate reductase subunit beta	0.0067	0.0263	0.0332
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0046	0.0132	0.0147
Schistosoma mansoni	ankyrin 23/unc44	0.0028	0.0025	0.0033
Echinococcus granulosus	heat shock protein 90	0.0039	0.0092	0.01
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0068	0.0272	0.0374
Echinococcus granulosus	integrin alpha ps	0.0228	0.1263	0.1852
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0056	0.0193	0.0246
Mycobacterium tuberculosis	Ribonucleoside-diphosphate reductase (beta chain) NrdF1 (ribonucleotide reductase small subunit) (R2F protein)	0.0067	0.0263	0.036
Loa Loa (eye worm)	endoplasmin	0.0039	0.0092	0.0092
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0048	0.0145	0.0168
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0223	0.1237	0.1651
Loa Loa (eye worm)	lethal(1)discs large-1 tumor suppressor	0.0044	0.0122	0.0122
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0039	0.0092	0.1051
Giardia lamblia	High cysteine membrane protein Group 2	0.0107	0.0515	1
Echinococcus granulosus	tumor necrosis factor receptor superfamily	0.0043	0.0118	0.0139
Trypanosoma cruzi	ribonucleoside-diphosphate reductase large chain, putative	0.0313	0.1794	0.2627
Plasmodium falciparum	ribonucleoside-diphosphate reductase small chain, putative	0.0067	0.0263	0.0259
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0048	0.0145	0.0155
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0052	0.0172	0.0211
Schistosoma mansoni	integrin alpha-ps	0.0475	0.28	0.3739
Trypanosoma cruzi	Heat shock protein 83, putative	0.0039	0.0092	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0228	0.1263	0.1263
Plasmodium vivax	RNA helicase-1, putative	0.0048	0.0145	0.0081
Mycobacterium ulcerans	thioesterase TesA	0.0046	0.0132	0.0147
Echinococcus granulosus	disks large 3	0.0047	0.0139	0.0171
Leishmania major	heat shock protein 83-1	0.0039	0.0092	0.0075
Echinococcus granulosus	adam 17 protease	0.0037	0.0076	0.0077
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0195	0.0249
Echinococcus multilocularis	integrin alpha ps	0.0475	0.28	0.4151
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0052	0.0172	0.0232
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.1217	0.7412	0.7412
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0056	0.0193	0.0246
Echinococcus multilocularis	integrin alpha ps	0.0475	0.28	0.4151
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0048	0.0145	0.0187
Toxoplasma gondii	type I fatty acid synthase, putative	0.0056	0.0193	0.0258
Onchocerca volvulus		0.0051	0.0167	0.324
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0056	0.0193	0.0246
Loa Loa (eye worm)	integrin beta-2	0.0657	0.3935	0.3935
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0048	0.0145	0.018
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0039	0.0093	0.0083
Onchocerca volvulus	Fatty acid synthase homolog	0.0099	0.0464	1
Loa Loa (eye worm)	hypothetical protein	0.0102	0.048	0.048
Echinococcus multilocularis	adam	0.0126	0.0631	0.0906
Brugia malayi	proprotein convertase 2	0.0182	0.0976	0.1317
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0051	0.0167	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0801	0.4829	0.4829
Mycobacterium ulcerans	ribonucleotide-diphosphate reductase subunit alpha	0.102	0.6192	1
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0056	0.0193	0.0246
Loa Loa (eye worm)	hypothetical protein	0.009	0.0404	0.0404
Echinococcus granulosus	ribonucleoside diphosphate reductase subunit	0.0067	0.0263	0.0356
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0054	0.0182	0.0245
Leishmania major	heat shock protein 83-1	0.0039	0.0092	0.0075
Loa Loa (eye worm)	endoprotease bli-4	0.0289	0.1644	0.1644
Chlamydia trachomatis	transcriptional repressor NrdR	0.0083	0.0366	0.016
Echinococcus multilocularis	ribonucleoside diphosphate reductase large	0.1104	0.6711	1
Mycobacterium ulcerans	polyketide synthase	0.0056	0.0193	0.0246
Schistosoma mansoni	hypothetical protein	0.0228	0.1263	0.1686
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0053	0.0179	0.0223
Brugia malayi	Angiotensin-converting enzyme family protein	0.1217	0.7412	1
Schistosoma mansoni	endoplasmin	0.0039	0.0092	0.0122
Schistosoma mansoni	hypothetical protein	0.0054	0.0182	0.0243
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0068	0.0272	0.0374
Trypanosoma cruzi	heat shock protein 90, putative	0.0039	0.0092	0.0075
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0195	0.0249
Brugia malayi	Kelch motif family protein	0.0108	0.052	0.0701
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0054	0.0182	0.0235
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0195	0.0249
Trypanosoma brucei	ribonucleoside-diphosphate reductase small chain	0.0067	0.0263	0.0259
Mycobacterium ulcerans	thioesterase	0.0046	0.0132	0.0147
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0054	0.0182	0.0235
Echinococcus multilocularis	integrin alpha ps	0.0228	0.1263	0.1852
Loa Loa (eye worm)	hypothetical protein	0.0584	0.3481	0.3481
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0052	0.0172	0.0211
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0068	0.0272	0.0374
Schistosoma mansoni	adam (A disintegrin and metalloprotease	0.0116	0.057	0.0761
Loa Loa (eye worm)	apoptosis regulator protein	0.0054	0.0182	0.0182
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0048	0.0145	0.018
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0048	0.0145	0.0155
Echinococcus granulosus	ribonucleoside diphosphate reductase large	0.1104	0.6711	1
Leishmania major	ribonucleoside-diphosphate reductase small chain, putative	0.0067	0.0263	0.0332
Echinococcus granulosus	heat shock protein 90	0.0031	0.0042	0.0026
Mycobacterium tuberculosis	Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase)	0.0367	0.2129	0.3393
Leishmania major	heat shock protein 83-1	0.0039	0.0092	0.0075
Schistosoma mansoni	protein kinase	0.0124	0.0616	0.0823
Leishmania major	heat shock protein 83-1	0.0039	0.0092	0.0075
Schistosoma mansoni	tumor necrosis factor receptor related	0.0043	0.0118	0.0157
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.0092	0.0075
Mycobacterium ulcerans	polyketide synthase Pks13	0.0079	0.0341	0.0486
Trichomonas vaginalis	heat shock protein, putative	0.0039	0.0092	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0552	0.0552
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0673	0.4033	0.5995
Echinococcus granulosus	integrin beta 2	0.0484	0.2857	0.4236
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0176	0.0939	0.1459
Mycobacterium ulcerans	polyketide synthase	0.0052	0.0172	0.0211
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0109	0.0523	0.0705
Plasmodium falciparum	ribonucleoside-diphosphate reductase large subunit, putative	0.1104	0.6711	1
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0079	0.0341	0.0486
Brugia malayi	hypothetical protein	0.0116	0.057	0.0769
Leishmania major	heat shock protein 83-1	0.0039	0.0092	0.0075
Toxoplasma gondii	heat shock protein HSP90	0.0039	0.0092	0.0107
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0048	0.0145	0.2183
Echinococcus multilocularis	heat shock protein 90	0.0039	0.0092	0.01
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0028	0.0025	0.0025
Treponema pallidum	ATP-dependent RNA helicase	0.0048	0.0145	0.0155
Echinococcus granulosus	Blood coagulation inhibitor Disintegrin	0.0037	0.0076	0.0077
Leishmania major	heat shock protein 83-1	0.0039	0.0092	0.0075
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0195	0.0249
Trypanosoma brucei	ribonucleoside-diphosphate reductase large chain	0.1104	0.6711	1
Schistosoma mansoni	furin-1 (S08 family)	0.0126	0.0629	0.084
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0124	0.0616	0.0885
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0048	0.0145	1
Brugia malayi	heat shock protein 90	0.0039	0.0092	0.0123
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0056	0.0193	0.0246
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0048	0.0145	0.2745
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0052	0.0172	0.0211
Brugia malayi	endoprotease bli-4 precursor	0.0289	0.1644	0.2217
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0034	0.0056	0.0023
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0053	0.0179	0.0223
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0195	0.0249

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	= 6.8 uM	Inhibition of HCT116 human colon cancer cell proliferation	ChEMBL.	15955698
GI50 (functional)	= 6.8 uM	Inhibition of HCT116 human colon cancer cell proliferation	ChEMBL.	15955698
IC50 (functional)	< 1 uM	Inhibition of yeast Hsp90 ATPase activity	ChEMBL.	15955698
IC50 (functional)	< 1 uM	Inhibition of yeast Hsp90 ATPase activity	ChEMBL.	15955698

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL187408

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 330538