TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 358.393 | Formula: C21H18N4O2
H donors: 2 H acceptors: 4 LogP: 3.56 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1O)c1nc(NCc2cccnc2)c2c(n1)cccc2
InChi: 1S/C21H18N4O2/c1-27-18-10-4-8-16(19(18)26)21-24-17-9-3-2-7-15(17)20(25-21)23-13-14-6-5-11-22-12-14/h2-12,26H,13H2,1H3,(H,23,24,25)
InChiKey: NKSKJXGWVNOSNN-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
Homo sapiens	multiple endocrine neoplasia I		No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	peptidylprolyl cis/trans isomerase, NIMA-interacting 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Trichomonas vaginalis	rotamase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Babesia bovis	peptidyl-prolyl cis-trans isomerase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Leishmania mexicana	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Candida albicans	peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t	Get druggable targets OG5_128367	All targets in OG5_128367
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Trichomonas vaginalis	rotamase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	rotamase	Get druggable targets OG5_128367	All targets in OG5_128367
Echinococcus granulosus	expressed protein	Get druggable targets OG5_128367	All targets in OG5_128367
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	Get druggable targets OG5_128367	All targets in OG5_128367
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Leishmania infantum	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Leishmania donovani	peptidyl-prolyl cis-trans isomerase/rotamase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Schistosoma japonicum	ko:K09578 peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Candida albicans	peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t	Get druggable targets OG5_128367	All targets in OG5_128367
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	Get druggable targets OG5_128367	All targets in OG5_128367
Toxoplasma gondii	peptidylprolyl isomerase	Get druggable targets OG5_128367	All targets in OG5_128367
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Leishmania braziliensis	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Trypanosoma congolense	peptidyl-prolyl cis-trans isomerase/rotamase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	expressed protein	Get druggable targets OG5_128367	All targets in OG5_128367
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	Get druggable targets OG5_128367	All targets in OG5_128367
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	Get druggable targets OG5_128367	All targets in OG5_128367
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_128367	All targets in OG5_128367
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Neospora caninum	peptidyl-prolyl cis-trans isomerase NIMA- interacting 1, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Trypanosoma brucei gambiense	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	Get druggable targets OG5_128367	All targets in OG5_128367
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Theileria parva	peptidyl-prolyl cis-trans isomerase, putative	Get druggable targets OG5_128367	All targets in OG5_128367

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Leishmania major	peptidyl-prolyl cis-trans isomerase, putative	peptidylprolyl cis/trans isomerase, NIMA-interacting 1	163 aa	133 aa	27.8 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	hypothetical protein	0.0067	0.0642	0.2416
Loa Loa (eye worm)	hypothetical protein	0.008	0.0774	0.089
Brugia malayi	cathepsin F-like cysteine proteinase	0.0067	0.0642	0.0724
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0263	0.2656	1
Loa Loa (eye worm)	hypothetical protein	0.0785	0.8009	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0524	0.06
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0067	0.0642	0.2416
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0146	0.1458	0.5491
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0642	0.0722
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0263	0.2656	0.9093
Brugia malayi	cathepsin L-like cysteine proteinase	0.0067	0.0642	0.0724
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0039	0.0128
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0039	0.0128
Plasmodium vivax	vivapain-2	0.0263	0.2656	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0289	0.292	1
Brugia malayi	Cathepsin L-like precursor	0.0263	0.2656	0.3259
Plasmodium vivax	unspecified product	0.008	0.0774	0.066
Toxoplasma gondii	cathepsin CPL	0.0263	0.2656	0.9066
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.004	0.0372	0.0382
Leishmania major	cathepsin L-like protease	0.0263	0.2656	0.9066
Toxoplasma gondii	peptidylprolyl isomerase	0.0039	0.0362	0.098
Entamoeba histolytica	cysteine protease, putative	0.0067	0.0642	0.2416
Onchocerca volvulus		0.0263	0.2656	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0067	0.0642	0.0801
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0314	0.0311
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0128
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.2656	0.9066
Entamoeba histolytica	cysteine protease, putative	0.0146	0.1458	0.5491
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0067	0.0642	0.0801
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0785	0.8009	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0146	0.1458	0.1773
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0067	0.0642	0.2194
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0067	0.0642	0.1967
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0128
Plasmodium falciparum	serine repeat antigen 8	0.0067	0.0642	0.2416
Entamoeba histolytica	cysteine proteinase, putative	0.0146	0.1458	0.5491
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0039	0.0128
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.2656	0.9066
Brugia malayi	fibroinase precursor	0.0067	0.0642	0.0724
Echinococcus granulosus	cathepsin l1	0.0183	0.1839	0.2251
Brugia malayi	Papain family cysteine protease containing protein	0.0146	0.1458	0.1752
Trypanosoma cruzi	cysteine peptidase, putative	0.0263	0.2656	0.3245
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0039	0.0362	0.0351
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0263	0.2656	0.9093
Brugia malayi	Cathepsin L-like precursor	0.0263	0.2656	0.3259
Onchocerca volvulus		0.0263	0.2656	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0146	0.1458	0.4991
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0068	0.0027
Entamoeba histolytica	cysteine proteinase, putative	0.0263	0.2656	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0263	0.2656	0.3245
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0067	0.0642	0.2416
Entamoeba histolytica	cysteine proteinase 1, putative	0.0146	0.1458	0.5491
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.2656	0.9066
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0128
Loa Loa (eye worm)	fibroinase	0.0263	0.2656	0.3258
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.2656	0.9066
Brugia malayi	cathepsin F-like cysteine proteinase	0.008	0.0774	0.0891
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.2656	0.9066
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0263	0.2656	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0146	0.1458	0.1734
Leishmania major	cathepsin L-like protease	0.0263	0.2656	0.9066
Trichomonas vaginalis	helicase, putative	0.0008	0.0039	0.0128
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0067	0.0642	0.0801
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0183	0.1839	0.6296
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.2656	0.9066
Loa Loa (eye worm)	cathepsin B	0.0289	0.292	0.3592
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.2656	0.9066
Loa Loa (eye worm)	cysteine protease	0.0263	0.2656	0.3258
Plasmodium vivax	vivapain-1	0.0146	0.1458	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0642	0.2194
Plasmodium falciparum	serine repeat antigen 7	0.0067	0.0642	0.2416
Entamoeba histolytica	cysteine protease, putative	0.0146	0.1458	0.5491
Brugia malayi	Cathepsin L-like precursor	0.0183	0.1839	0.2231
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0712	0.0889
Onchocerca volvulus	Cathepsin L homolog	0.0263	0.2656	1
Echinococcus granulosus	cathepsin l1	0.0263	0.2656	0.3277
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0524	0.0655
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.0642	0.2194
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0263	0.2656	0.9093
Echinococcus multilocularis	cysteine protease	0.0263	0.2656	0.2621
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0067	0.0642	0.0801
Entamoeba histolytica	cysteine protease, putative	0.0146	0.1458	0.5491
Trichomonas vaginalis	conserved hypothetical protein	0.0067	0.0642	0.2194
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.0642	0.2194
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0067	0.0642	0.0724
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0289	0.292	0.3646
Entamoeba histolytica	cysteine proteinase, putative	0.0146	0.1458	0.5491
Plasmodium falciparum	serine repeat antigen 9	0.0067	0.0642	0.2416
Leishmania major	cysteine peptidase A (CPA)	0.0263	0.2656	0.9066
Brugia malayi	Papain family cysteine protease containing protein	0.0067	0.0642	0.0724
Echinococcus granulosus	cysteine protease	0.0146	0.1458	0.1773
Brugia malayi	Cathepsin L-like precursor	0.0263	0.2656	0.3259
Schistosoma mansoni	hypothetical protein	0.0494	0.5023	0.6272
Trypanosoma cruzi	cysteine peptidase, putative	0.0263	0.2656	0.3245
Loa Loa (eye worm)	hypothetical protein	0.0183	0.1839	0.223
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0039	0.0128
Giardia lamblia	Cathepsin B precursor	0.0289	0.292	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0067	0.0642	0.2194
Brugia malayi	cathepsin L precursor	0.0067	0.0642	0.0724
Onchocerca volvulus	Cathepsin L homolog	0.0263	0.2656	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0263	0.2656	0.3277
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0642	0.2194
Brugia malayi	Papain family cysteine protease containing protein	0.0146	0.1458	0.1752
Entamoeba histolytica	cysteine protease, putative	0.0067	0.0642	0.2416
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0785	0.8009	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0263	0.2656	0.9093
Entamoeba histolytica	cysteine protease, putative	0.0146	0.1458	0.5491
Schistosoma mansoni	cpg binding protein	0.0037	0.0334	0.0417
Echinococcus multilocularis	cathepsin L cysteine protease	0.0263	0.2656	0.2621
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0128
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.2656	0.9066
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0263	0.2656	0.9093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0263	0.2656	0.9093
Onchocerca volvulus		0.0263	0.2656	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0263	0.2656	0.9093
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0642	0.0722
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0183	0.1839	0.6296
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0263	0.2656	0.2621
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0524	0.06
Entamoeba histolytica	cysteine proteinase, putative	0.0263	0.2656	1
Echinococcus granulosus	cpg binding protein	0.0037	0.0334	0.0361
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0005	0.0009	0.0011
Leishmania major	cathepsin L-like protease	0.0263	0.2656	0.9066
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0039	0.0362	0.098
Plasmodium vivax	unspecified product	0.0146	0.1458	0.4054
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0372	0.1269
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0183	0.1839	0.2215
Entamoeba histolytica	cysteine protease, putative	0.0146	0.1458	0.5491
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0263	0.2656	0.9093
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0067	0.0642	0.2194
Trypanosoma cruzi	cysteine peptidase, putative	0.0146	0.1458	0.1734
Entamoeba histolytica	cysteine protease, putative	0.0146	0.1458	0.5491
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0067	0.0642	0.2194
Onchocerca volvulus		0.0263	0.2656	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0263	0.2656	0.9093
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0183	0.1839	0.2231
Trypanosoma cruzi	major cysteine proteinase, putative	0.0067	0.0642	0.0704
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0146	0.1458	0.4991
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0067	0.0642	0.2194
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0067	0.0642	0.0801
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0263	0.2656	0.9093
Echinococcus granulosus	cathepsin L	0.0146	0.1458	0.1773
Brugia malayi	Cathepsin L-like precursor	0.0263	0.2656	0.3259
Entamoeba histolytica	cysteine protease, putative	0.0146	0.1458	0.5491
Echinococcus granulosus	expressed protein	0.004	0.0372	0.0408
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0263	0.2656	0.9093
Onchocerca volvulus		0.0263	0.2656	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0067	0.0642	0.0724
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0289	0.292	0.3579
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0642	0.0722
Toxoplasma gondii	cathepsin B	0.0289	0.292	1
Echinococcus multilocularis	cathepsin L	0.0146	0.1458	0.1418
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0314	0.0309
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.008	0.0774	0.0891
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0642	0.0722
Onchocerca volvulus		0.0263	0.2656	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0128
Echinococcus multilocularis	cathepsin b	0.0785	0.8009	0.8
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.5023	0.625
Plasmodium falciparum	serine repeat antigen 4	0.0067	0.0642	0.2416
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0524	0.0655
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0263	0.2656	0.3258
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0263	0.2656	0.9093
Entamoeba histolytica	cysteine proteinase, putative	0.0183	0.1839	0.6926
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0524	0.0655
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0263	0.2656	0.9093
Schistosoma mansoni	cathepsin C	0.0067	0.0642	0.0801
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0146	0.1458	0.182
Trypanosoma cruzi	cysteine protease, putative	0.0146	0.1458	0.1734
Plasmodium vivax	vivapain-2	0.0263	0.2656	1
Echinococcus multilocularis	expressed protein	0.004	0.0372	0.0327
Brugia malayi	Papain family cysteine protease containing protein	0.0263	0.2656	0.3259
Schistosoma mansoni	cathepsin F (C01 family)	0.0263	0.2656	0.3315
Plasmodium vivax	vivapain-3	0.0146	0.1458	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0146	0.1458	0.5491
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0263	0.2656	0.9093
Loa Loa (eye worm)	hypothetical protein	0.0263	0.2656	0.3258
Loa Loa (eye worm)	hypothetical protein	0.0183	0.1839	0.223
Plasmodium falciparum	serine repeat antigen 3	0.0067	0.0642	0.2416
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0642	0.2194
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0067	0.0642	0.0801
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0289	0.292	1
Leishmania major	cathepsin L-like protease	0.0263	0.2656	0.9066
Leishmania major	cathepsin L-like protease	0.0263	0.2656	0.9066
Trypanosoma cruzi	cysteine proteinase, putative	0.0146	0.1458	0.1734
Trypanosoma cruzi	cysteine peptidase, putative	0.0263	0.2656	0.3245
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0067	0.0642	0.2194
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0067	0.0642	0.0724
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0263	0.2656	0.3258
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0524	0.048
Entamoeba histolytica	cysteine protease, putative	0.0146	0.1458	0.5491
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.2656	0.9066
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0642	0.0722
Entamoeba histolytica	cysteine protease, putative	0.0146	0.1458	0.5491
Entamoeba histolytica	cysteine protease, putative	0.0146	0.1458	0.5491
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0785	0.8009	1
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.5023	0.5
Onchocerca volvulus		0.0067	0.0642	0.14
Entamoeba histolytica	cysteine protease, putative	0.0263	0.2656	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0146	0.1458	0.4845
Toxoplasma gondii	cathepsin CPC2	0.0067	0.0642	0.1967
Plasmodium falciparum	serine repeat antigen 5	0.0067	0.0642	0.2416
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0067	0.0642	0.2194
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0263	0.2656	0.9093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0263	0.2656	0.9093
Loa Loa (eye worm)	hypothetical protein	0.0183	0.1839	0.223
Plasmodium falciparum	serine repeat antigen 1	0.0067	0.0642	0.2416
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0146	0.1458	0.182
Echinococcus granulosus	cathepsin b	0.0785	0.8009	1
Schistosoma mansoni	rotamase	0.004	0.0372	0.0464
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0039	0.0128
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0263	0.2656	0.9093
Entamoeba histolytica	cysteine proteinase, putative	0.0146	0.1458	0.5491
Schistosoma mansoni	cathepsin s	0.008	0.0774	0.0967
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0263	0.2656	1
Leishmania major	cathepsin L-like protease	0.0263	0.2656	0.9066
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0642	0.2194
Trichomonas vaginalis	conserved hypothetical protein	0.0067	0.0642	0.2194
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.0642	0.2194
Entamoeba histolytica	cysteine protease, putative	0.0067	0.0642	0.2416
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0128
Entamoeba histolytica	cysteine proteinase 2	0.0146	0.1458	0.5491
Trichomonas vaginalis	rotamase, putative	0.004	0.0372	0.1269
Brugia malayi	Cathepsin L-like precursor	0.0263	0.2656	0.3259
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0146	0.1458	0.182
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0128
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0039	0.0128
Schistosoma mansoni	cathepsin F (C01 family)	0.0183	0.1839	0.2296
Onchocerca volvulus		0.0263	0.2656	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0263	0.2656	0.3245
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0524	0.0575
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0067	0.0642	0.2416
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.008	0.0774	0.089
Echinococcus multilocularis	cysteine protease	0.0263	0.2656	0.2621
Trypanosoma cruzi	cysteine peptidase, putative	0.008	0.0774	0.0871
Entamoeba histolytica	cysteine proteinase, putative	0.0146	0.1458	0.5491
Schistosoma mansoni	cpg binding protein	0.0037	0.0334	0.0417
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.2656	0.9066
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0263	0.2656	0.2621
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0067	0.0642	0.0722
Trypanosoma cruzi	major cysteine proteinase, putative	0.0067	0.0642	0.0704
Onchocerca volvulus	Cathepsin L homolog	0.0067	0.0642	0.14
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0067	0.0642	0.0722
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0263	0.2656	0.9093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0642	0.2194
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0289	0.292	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.0774	0.089
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0128
Entamoeba histolytica	cysteine protease, putative	0.0146	0.1458	0.5491
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0146	0.1458	0.4845
Trichomonas vaginalis	rotamase, putative	0.0039	0.0362	0.1235
Brugia malayi	cathepsin L-like precursor	0.0183	0.1839	0.2231
Echinococcus multilocularis	cathepsin L cysteine protease	0.0263	0.2656	0.2621
Leishmania major	cathepsin L-like protease	0.0263	0.2656	0.9066
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0067	0.0642	0.2194
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0067	0.0642	0.2416
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0067	0.0642	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0642	0.0722
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0128
Onchocerca volvulus		0.0183	0.1839	0.6514
Plasmodium falciparum	serine repeat antigen 2	0.0067	0.0642	0.2416
Brugia malayi	cathepsin B-like cysteine proteinase	0.0785	0.8009	1
Leishmania major	cathepsin L-like protease	0.0263	0.2656	0.9066
Schistosoma mansoni	cathepsin B (C01 family)	0.0067	0.0642	0.0801
Entamoeba histolytica	cysteine protease, putative	0.0067	0.0642	0.2416
Entamoeba histolytica	cysteine protease, putative	0.0067	0.0642	0.2416
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0067	0.0642	0.0801
Loa Loa (eye worm)	hypothetical protein	0.008	0.0774	0.089
Onchocerca volvulus	Cathepsin F homolog	0.0263	0.2656	1
Plasmodium falciparum	serine repeat antigen 6	0.0067	0.0642	0.2416
Trypanosoma cruzi	cruzipain precursor, putative	0.008	0.0774	0.0871
Echinococcus granulosus	cathepsin L	0.0067	0.0642	0.0748
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.004	0.0372	0.0384
Brugia malayi	Papain family cysteine protease containing protein	0.0067	0.0642	0.0724
Brugia malayi	Cathepsin L-like precursor	0.0183	0.1839	0.2231
Toxoplasma gondii	cathepsin CPC1	0.0067	0.0642	0.1967
Brugia malayi	Cathepsin L-like precursor	0.008	0.0774	0.0891
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0524	0.0576
Echinococcus multilocularis	cathepsin L	0.0067	0.0642	0.0598
Brugia malayi	Papain family cysteine protease containing protein	0.0067	0.0642	0.0724
Echinococcus multilocularis	cathepsin b	0.0785	0.8009	0.8
Echinococcus granulosus	cathepsin b	0.0785	0.8009	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0067	0.0642	0.0722
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0263	0.2656	0.3277
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.0642	0.2194
Entamoeba histolytica	cysteine protease, putative	0.0067	0.0642	0.2416
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0039	0.0128
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0039	0.0362	0.1363
Echinococcus multilocularis	cpg binding protein	0.0037	0.0334	0.0289
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0146	0.1458	0.1734
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0263	0.2656	0.9093
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0039	0.0362	0.098
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0524	0.048
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0263	0.2656	0.9093
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0785	0.8009	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0067	0.0642	0.0801
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0039	0.0362	0.0351
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0263	0.2656	0.9093
Schistosoma mansoni	cathepsin F (C01 family)	0.0263	0.2656	0.3315
Loa Loa (eye worm)	ctsf protein	0.0263	0.2656	0.3258
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0039	0.0128
Brugia malayi	Cathepsin L-like precursor	0.0263	0.2656	0.3259
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0785	0.8009	1
Wolbachia endosymbiont of Brugia malayi	parvulin-like peptidyl-prolyl isomerase, PPID	0.0012	0.0084	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0263	0.2656	0.9093
Schistosoma mansoni	cpg binding protein	0.0035	0.0314	0.0392
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0067	0.0642	0.2416
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0632	0.1932
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0263	0.2656	0.9066
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0263	0.2656	0.9093
Giardia lamblia	Cathepsin B precursor	0.0289	0.292	1
Schistosoma mansoni	cathepsin S (C01 family)	0.0067	0.0642	0.0801
Giardia lamblia	Cathepsin B precursor	0.0289	0.292	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0046	0.0058
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0068	0.0022
Entamoeba histolytica	cysteine protease, putative	0.0146	0.1458	0.5491
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0263	0.2656	0.9093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0263	0.2656	0.9093

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.1635 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	5.8584 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.9341 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1444595

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1353853