TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 480.44 | Formula: C26H30BrN3O
H donors: 1 H acceptors: 0 LogP: 6.42 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)/C(=N/c1ccccc1)/Nc1ccc(cc1)OCCCN1CCCC1.Br
InChi: 1S/C26H29N3O.BrH/c1-3-10-22(11-4-1)26(27-23-12-5-2-6-13-23)28-24-14-16-25(17-15-24)30-21-9-20-29-18-7-8-19-29;/h1-6,10-17H,7-9,18-21H2,(H,27,28);1H
InChiKey: BEMFBHVTDNIYPQ-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0009	0.0009
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0096	0.0096
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0096	0.0096
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.01	0.0512	0.2459
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0264	0.1803	0.1803
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.01	0.0512	0.28
Brugia malayi	Cathepsin L-like precursor	0.0264	0.1803	0.1803
Onchocerca volvulus		0.0036	0.0009	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0009	0.0009
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0264	0.1803	0.5233
Entamoeba histolytica	cysteine proteinase, putative	0.01	0.0512	0.2838
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0009	0.0027
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1308	1	1
Plasmodium falciparum	serine repeat antigen 1	0.01	0.0512	0.2459
Plasmodium falciparum	serine repeat antigen 7	0.01	0.0512	0.2459
Toxoplasma gondii	histone deacetylase HDAC1	0.0046	0.009	0.0236
Plasmodium falciparum	serine repeat antigen 2	0.01	0.0512	0.2459
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0264	0.1803	0.5233
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0009	0.0009
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0009	0.0027
Brugia malayi	Cathepsin L-like precursor	0.0264	0.1803	0.1803
Trypanosoma cruzi	cysteine proteinase, putative	0.01	0.0512	0.0512
Entamoeba histolytica	cysteine protease, putative	0.01	0.0512	0.2838
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0264	0.1803	0.5233
Schistosoma mansoni	cathepsin S (C01 family)	0.01	0.0512	0.0512
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0096	0.0096
Trypanosoma cruzi	cysteine proteinase, putative	0.01	0.0512	0.0512
Plasmodium vivax	serine-repeat antigen (SERA)	0.01	0.0512	0.28
Entamoeba histolytica	cysteine proteinase, putative	0.0264	0.1803	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0264	0.1803	0.5233
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.01	0.0512	0.1485
Loa Loa (eye worm)	cathepsin B	0.0474	0.3446	0.3446
Echinococcus granulosus	caspase 2	0.0312	0.2175	0.2175
Onchocerca volvulus		0.1012	0.7675	1
Loa Loa (eye worm)	histone deacetylase 7A	0.0046	0.009	0.009
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0264	0.1803	0.1803
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.01	0.0512	0.1485
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.01	0.0512	0.0512
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0096	0.0096
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.01	0.0512	0.1485
Loa Loa (eye worm)	hypothetical protein	0.0046	0.009	0.009
Plasmodium vivax	vivapain-3	0.01	0.0512	0.28
Brugia malayi	cathepsin Z-like cysteine proteinase	0.01	0.0512	0.0512
Entamoeba histolytica	cysteine protease, putative	0.01	0.0512	0.2838
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1308	1	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.01	0.0512	0.0512
Entamoeba histolytica	cysteine protease, putative	0.01	0.0512	0.2838
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0264	0.1803	0.5233
Plasmodium falciparum	serine repeat antigen 3	0.01	0.0512	0.2459
Echinococcus granulosus	histone deacetylase 7	0.0046	0.009	0.009
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0264	0.1803	0.5233
Trypanosoma cruzi	cysteine protease, putative	0.01	0.0512	0.0512
Echinococcus multilocularis	cathepsin L cysteine protease	0.0264	0.1803	0.1803
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0264	0.1803	0.5233
Brugia malayi	Cathepsin L-like precursor	0.0264	0.1803	0.1803
Trypanosoma cruzi	cysteine peptidase, putative	0.0264	0.1803	0.1803
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.01	0.0512	0.1485
Toxoplasma gondii	preprocathepsin c precursor, putative	0.01	0.0512	0.1462
Entamoeba histolytica	cysteine proteinase, putative	0.0264	0.1803	1
Onchocerca volvulus		0.01	0.0512	0.0667
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.01	0.0512	0.0512
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0264	0.1803	0.1803
Schistosoma mansoni	inhibitor of apoptosis protein	0.1012	0.7675	0.7675
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0264	0.1803	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0009	0.0027
Brugia malayi	Papain family cysteine protease containing protein	0.01	0.0512	0.0512
Leishmania major	histone deacetylase, putative	0.0046	0.009	0.0262
Plasmodium vivax	vivapain-1	0.01	0.0512	0.28
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.01	0.0512	0.2459
Entamoeba histolytica	cysteine protease, putative	0.0264	0.1803	1
Echinococcus granulosus	cathepsin l1	0.0264	0.1803	0.1803
Echinococcus multilocularis	histone deacetylase 7	0.0046	0.009	0.009
Brugia malayi	Cathepsin L-like precursor	0.0264	0.1803	0.1803
Entamoeba histolytica	cysteine proteinase, putative	0.01	0.0512	0.2838
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0264	0.1803	0.5233
Leishmania major	cysteine peptidase A (CPA)	0.0264	0.1803	0.5233
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0009	0.0009
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0264	0.1803	0.1803
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0264	0.1803	0.5233
Trypanosoma cruzi	major cysteine proteinase, putative	0.01	0.0512	0.0512
Schistosoma mansoni	survival motor neuron protein	0.0049	0.0109	0.0109
Echinococcus granulosus	apoptotic protease activating factor 1	0.0312	0.2175	0.2175
Leishmania major	cathepsin L-like protease	0.0264	0.1803	0.5233
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0264	0.1803	0.5233
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0096	0.0096
Echinococcus multilocularis	cathepsin L cysteine protease	0.0264	0.1803	0.1803
Schistosoma mansoni	cathepsin F (C01 family)	0.0264	0.1803	0.1803
Echinococcus granulosus	survival motor neuron protein 1	0.0239	0.16	0.16
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0474	0.3446	1
Loa Loa (eye worm)	hypothetical protein	0.0264	0.1803	0.1803
Loa Loa (eye worm)	hypothetical protein	0.01	0.0512	0.0512
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.01	0.0512	0.0512
Trypanosoma cruzi	cruzipain precursor, putative	0.0264	0.1803	0.1803
Loa Loa (eye worm)	histone deacetylase	0.0046	0.009	0.009
Giardia lamblia	Cathepsin B precursor	0.0474	0.3446	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0264	0.1803	0.5233
Onchocerca volvulus	Cathepsin F homolog	0.0264	0.1803	0.235
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.01	0.0512	0.0512
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0264	0.1803	0.5233
Entamoeba histolytica	cysteine protease, putative	0.01	0.0512	0.2838
Loa Loa (eye worm)	hypothetical protein	0.0239	0.16	0.16
Echinococcus granulosus	histone deacetylase 6	0.0046	0.009	0.009
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0264	0.1803	0.5233
Echinococcus multilocularis	caspase 2	0.0312	0.2175	0.2175
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0264	0.1803	0.1803
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0009	1
Trypanosoma brucei	histone deacetylase 4	0.0046	0.009	0.0262
Echinococcus granulosus	histone deacetylase 6	0.0046	0.009	0.009
Brugia malayi	cathepsin L-like cysteine proteinase	0.01	0.0512	0.0512
Loa Loa (eye worm)	hypothetical protein	0.01	0.0512	0.0512
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0009	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0009	0.0009
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1308	1	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0474	0.3446	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.01	0.0512	0.1485
Schistosoma mansoni	cathepsin F (C01 family)	0.0264	0.1803	0.1803
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.01	0.0512	0.1485
Loa Loa (eye worm)	hypothetical protein	0.0264	0.1803	0.1803
Loa Loa (eye worm)	hypothetical protein	0.0046	0.009	0.009
Leishmania major	cathepsin L-like protease	0.0264	0.1803	0.5233
Schistosoma mansoni	caspase-7 (C14 family)	0.0312	0.2175	0.2175
Echinococcus granulosus	baculoviral IAP repeat containing protein	0.1012	0.7675	0.7675
Onchocerca volvulus	Cathepsin L homolog	0.0264	0.1803	0.235
Plasmodium falciparum	serine repeat antigen 8	0.01	0.0512	0.2459
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.01	0.0512	0.1485
Leishmania major	histone deacetylase, putative	0.0046	0.009	0.0262
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0474	0.3446	0.3446
Brugia malayi	beta-lactamase family protein	0.0036	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.1012	0.7675	0.7675
Brugia malayi	Papain family cysteine protease containing protein	0.0264	0.1803	0.1803
Echinococcus multilocularis	cathepsin L	0.01	0.0512	0.0512
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.01	0.0512	0.1485
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.01	0.0512	0.1485
Entamoeba histolytica	cysteine proteinase, putative	0.0264	0.1803	1
Trichomonas vaginalis	conserved hypothetical protein	0.01	0.0512	0.1485
Entamoeba histolytica	cysteine protease, putative	0.01	0.0512	0.2838
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.01	0.0512	0.1485
Echinococcus granulosus	histone deacetylase 6	0.0046	0.009	0.009
Schistosoma mansoni	cathepsin F (C01 family)	0.0264	0.1803	0.1803
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.01	0.0512	0.1485
Entamoeba histolytica	cysteine protease, putative	0.01	0.0512	0.2838
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.01	0.0512	0.28
Schistosoma mansoni	inhibitor of apoptosis (iap) domain family member	0.1012	0.7675	0.7675
Echinococcus multilocularis	inhibitor of apoptosis protein	0.1012	0.7675	0.7675
Loa Loa (eye worm)	ctsf protein	0.0264	0.1803	0.1803
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0062	0.021	0.021
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0009	0.0009
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0009	0.0009
Echinococcus granulosus	cathepsin L cysteine protease	0.01	0.0512	0.0512
Plasmodium vivax	vivapain-2	0.0264	0.1803	1
Loa Loa (eye worm)	hypothetical protein	0.01	0.0512	0.0512
Brugia malayi	Cell death protein 3 precursor	0.0312	0.2175	0.2175
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0264	0.1803	0.5233
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0009	1
Onchocerca volvulus		0.0264	0.1803	0.235
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0009	0.0009
Echinococcus multilocularis	cathepsin L	0.01	0.0512	0.0512
Brugia malayi	Papain family cysteine protease containing protein	0.01	0.0512	0.0512
Loa Loa (eye worm)	hypothetical protein	0.0312	0.2175	0.2175
Onchocerca volvulus		0.0264	0.1803	0.235
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.01	0.0512	0.1485
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0264	0.1803	0.5233
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0264	0.1803	0.1803
Plasmodium vivax	vivapain-2	0.0264	0.1803	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.01	0.0512	0.1485
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.0641	0.0641
Onchocerca volvulus		0.0264	0.1803	0.235
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0264	0.1803	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.01	0.0512	0.1485
Plasmodium vivax	histone deacetylase, putative	0.0046	0.009	0.0452
Brugia malayi	hypothetical protein	0.0239	0.16	0.16
Trypanosoma cruzi	histone deacetylase, putative	0.0046	0.009	0.009
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.01	0.0512	0.2838
Echinococcus multilocularis	histone deacetylase 6	0.0046	0.009	0.009
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.023	0.1533	1
Echinococcus granulosus	cathepsin L	0.01	0.0512	0.0512
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0264	0.1803	0.5233
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.01	0.0512	0.0512
Trypanosoma brucei	histone deacetylase, putative	0.0046	0.009	0.0262
Plasmodium vivax	histone deacetylase 2, putative	0.0046	0.009	0.0452
Onchocerca volvulus		0.0264	0.1803	0.235
Entamoeba histolytica	cysteine proteinase, putative	0.01	0.0512	0.2838
Loa Loa (eye worm)	cysteine protease	0.0264	0.1803	0.1803
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0264	0.1803	0.5233
Echinococcus multilocularis	cathepsin b	0.1308	1	1
Loa Loa (eye worm)	hypothetical protein	0.01	0.0512	0.0512
Schistosoma mansoni	hypothetical protein	0.1012	0.7675	0.7675
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.01	0.0512	0.1485
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.01	0.0512	0.1485
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0264	0.1803	0.5233
Brugia malayi	Cathepsin L-like precursor	0.0264	0.1803	0.1803
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.01	0.0512	0.0512
Brugia malayi	Cathepsin L-like precursor	0.0264	0.1803	0.1803
Plasmodium vivax	unspecified product	0.01	0.0512	0.28
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0264	0.1803	0.5233
Onchocerca volvulus		0.0264	0.1803	0.235
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.0641	0.0641
Echinococcus multilocularis	cysteine protease	0.0264	0.1803	0.1803
Loa Loa (eye worm)	hypothetical protein	0.1012	0.7675	0.7675
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0264	0.1803	0.5233
Onchocerca volvulus		0.0264	0.1803	0.235
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0474	0.3446	0.3446
Leishmania major	cathepsin L-like protease	0.0264	0.1803	0.5233
Echinococcus granulosus	histone deacetylase	0.0046	0.009	0.009
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.01	0.0512	0.0512
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0264	0.1803	0.5233
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0009	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0009	0.0009
Trypanosoma cruzi	major cysteine proteinase, putative	0.01	0.0512	0.0512
Brugia malayi	Papain family cysteine protease containing protein	0.01	0.0512	0.0512
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0264	0.1803	0.5233
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.01	0.0512	0.0512
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0264	0.1803	0.5233
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.01	0.0512	0.28
Plasmodium vivax	unspecified product	0.01	0.0512	0.28
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.01	0.0512	0.0512
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0264	0.1803	0.5233
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0312	0.2175	0.2175
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0264	0.1803	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0264	0.1803	0.5233
Onchocerca volvulus	Cell death protein 3 homolog	0.0312	0.2175	0.2834
Echinococcus multilocularis	baculoviral IAP repeat containing protein	0.1012	0.7675	0.7675
Plasmodium vivax	serine-repeat antigen (SERA)	0.01	0.0512	0.28
Entamoeba histolytica	cysteine protease, putative	0.01	0.0512	0.2838
Entamoeba histolytica	cysteine protease, putative	0.01	0.0512	0.2838
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0264	0.1803	0.5233
Toxoplasma gondii	cathepsin CPC1	0.01	0.0512	0.1462
Loa Loa (eye worm)	hypothetical protein	0.1308	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0264	0.1803	0.5233
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0096	0.0096
Trypanosoma cruzi	cysteine peptidase, putative	0.0264	0.1803	0.1803
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.01	0.0512	0.0512
Onchocerca volvulus		0.0264	0.1803	0.235
Entamoeba histolytica	cysteine protease, putative	0.01	0.0512	0.2838
Leishmania major	cathepsin L-like protease	0.0264	0.1803	0.5233
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.01	0.0512	0.28
Entamoeba histolytica	cysteine protease, putative	0.01	0.0512	0.2838
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0264	0.1803	0.5233
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0264	0.1803	0.5233
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0096	0.0096
Trypanosoma cruzi	histone deacetylase, putative	0.0046	0.009	0.009
Brugia malayi	Cathepsin L-like precursor	0.0264	0.1803	0.1803
Echinococcus multilocularis	cysteine protease	0.0264	0.1803	0.1803
Entamoeba histolytica	cysteine proteinase 2	0.01	0.0512	0.2838
Brugia malayi	Papain family cysteine protease containing protein	0.01	0.0512	0.0512
Trypanosoma cruzi	histone deacetylase, putative	0.0046	0.009	0.009
Plasmodium falciparum	serine repeat antigen 4	0.01	0.0512	0.2459
Trypanosoma cruzi	cysteine peptidase, putative	0.0264	0.1803	0.1803
Loa Loa (eye worm)	hypothetical protein	0.01	0.0512	0.0512
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0264	0.1803	0.5233
Entamoeba histolytica	hypothetical protein	0.01	0.0512	0.2838
Loa Loa (eye worm)	hypothetical protein	0.01	0.0512	0.0512
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0264	0.1803	0.5233
Plasmodium falciparum	serine repeat antigen 5	0.01	0.0512	0.2459
Echinococcus granulosus	cathepsin l1	0.0264	0.1803	0.1803
Plasmodium falciparum	cysteine proteinase falcipain 1	0.01	0.0512	0.2459
Echinococcus multilocularis	histone deacetylase 6	0.0046	0.009	0.009
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0264	0.1803	0.5233
Onchocerca volvulus		0.0312	0.2175	0.2834
Leishmania major	hypothetical protein, conserved	0.0036	0.0009	0.0027
Onchocerca volvulus		0.0036	0.0009	0.0012
Schistosoma mansoni	cathepsin C	0.01	0.0512	0.0512
Echinococcus multilocularis	survival motor neuron protein 1	0.0239	0.16	0.16
Leishmania major	cathepsin L-like protease	0.0264	0.1803	0.5233
Schistosoma mansoni	cathepsin B (C01 family)	0.01	0.0512	0.0512
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1308	1	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0009	1
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0009	0.5
Brugia malayi	fibroinase precursor	0.01	0.0512	0.0512
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.01	0.0512	0.28
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0264	0.1803	0.1803
Onchocerca volvulus	Cathepsin L homolog	0.0264	0.1803	0.235
Toxoplasma gondii	cathepsin CPL	0.0264	0.1803	0.522
Trypanosoma brucei	histone deacetylase 3	0.0046	0.009	0.0262
Echinococcus multilocularis	histone deacetylase 6	0.0046	0.009	0.009
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0009	0.0009
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.01	0.0512	0.1485
Giardia lamblia	Cathepsin B precursor	0.0474	0.3446	1
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.01	0.0512	0.28
Onchocerca volvulus		0.0264	0.1803	0.235
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0009	0.0009
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.01	0.0512	0.0512
Entamoeba histolytica	cysteine protease, putative	0.01	0.0512	0.2838
Entamoeba histolytica	cysteine protease, putative	0.01	0.0512	0.2838
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.01	0.0512	0.28
Echinococcus granulosus	cysteine protease	0.01	0.0512	0.0512
Entamoeba histolytica	cysteine protease, putative	0.01	0.0512	0.2838
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.01	0.0512	0.28
Echinococcus granulosus	cathepsin b	0.1308	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0264	0.1803	0.5233
Trypanosoma cruzi	cysteine peptidase, putative	0.0264	0.1803	0.1803
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.01	0.0512	0.0512
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.01	0.0512	0.0512
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0264	0.1803	0.5233
Entamoeba histolytica	cysteine protease, putative	0.01	0.0512	0.2838
Brugia malayi	cathepsin L precursor	0.01	0.0512	0.0512
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.01	0.0512	0.0512
Trichomonas vaginalis	esterase, putative	0.0036	0.0009	0.0027
Schistosoma mansoni	histone deacetylase 4 5	0.0046	0.009	0.009
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0096	0.0096
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0264	0.1803	0.5233
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0264	0.1803	0.5233
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.01	0.0512	0.1485
Schistosoma mansoni	histone deacetylase hda2	0.0046	0.009	0.009
Trichomonas vaginalis	conserved hypothetical protein	0.01	0.0512	0.1485
Echinococcus granulosus	cathepsin L	0.01	0.0512	0.0512
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.01	0.0512	0.1485
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.1012	0.7675	0.7675
Leishmania major	cathepsin L-like protease	0.0264	0.1803	0.5233
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0009	0.0027
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0264	0.1803	0.5233
Brugia malayi	Histone deacetylase family protein	0.0046	0.009	0.009
Entamoeba histolytica	cysteine proteinase 1, putative	0.01	0.0512	0.2838
Brugia malayi	cathepsin L-like precursor	0.0264	0.1803	0.1803
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.01	0.0512	0.0512
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.01	0.0512	0.1485
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.01	0.0512	0.28
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.01	0.0512	0.28
Plasmodium falciparum	serine repeat antigen 6	0.01	0.0512	0.2459
Schistosoma mansoni	histone deacetylase 4 5	0.0046	0.009	0.009
Giardia lamblia	Cathepsin B precursor	0.0474	0.3446	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.01	0.0512	0.0512
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0009	0.0009
Onchocerca volvulus		0.0036	0.0009	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0264	0.1803	0.1803
Onchocerca volvulus		0.0049	0.0109	0.0142
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0264	0.1803	0.5233
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0474	0.3446	1
Brugia malayi	Papain family cysteine protease containing protein	0.01	0.0512	0.0512
Echinococcus granulosus	inhibitor of apoptosis protein	0.1012	0.7675	0.7675
Schistosoma mansoni	hypothetical protein	0.0049	0.0109	0.0109
Entamoeba histolytica	cysteine proteinase, putative	0.01	0.0512	0.2838
Onchocerca volvulus	Deterin homolog	0.1012	0.7675	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0009	0.0009
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.01	0.0512	0.0512
Leishmania major	cathepsin L-like protease	0.0264	0.1803	0.5233
Plasmodium falciparum	serine repeat antigen 9	0.01	0.0512	0.2459
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0009	0.0009
Brugia malayi	hypothetical protein	0.0312	0.2175	0.2175
Leishmania major	cathepsin L-like protease	0.0264	0.1803	0.5233
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1308	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0264	0.1803	0.1803
Echinococcus multilocularis	histone deacetylase	0.0046	0.009	0.009
Mycobacterium ulcerans	lipase LipD	0.0036	0.0009	1
Loa Loa (eye worm)	hypothetical protein	0.0312	0.2175	0.2175
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.0109	0.0109
Brugia malayi	cathepsin Z-like cysteine proteinase	0.01	0.0512	0.0512
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.1012	0.7675	0.7675
Loa Loa (eye worm)	hypothetical protein	0.0264	0.1803	0.1803
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0009	0.0027
Loa Loa (eye worm)	fibroinase	0.0264	0.1803	0.1803
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0009	0.0027
Entamoeba histolytica	cysteine protease, putative	0.01	0.0512	0.2838
Schistosoma mansoni	hypothetical protein	0.0312	0.2175	0.2175
Entamoeba histolytica	cysteine protease, putative	0.01	0.0512	0.2838
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.01	0.0512	0.2838
Entamoeba histolytica	cysteine protease, putative	0.01	0.0512	0.2838
Entamoeba histolytica	cysteine protease, putative	0.01	0.0512	0.2838
Brugia malayi	Cathepsin L-like precursor	0.0264	0.1803	0.1803
Brugia malayi	MH2 domain containing protein	0.0116	0.0641	0.0641
Echinococcus multilocularis	cathepsin b	0.1308	1	1
Onchocerca volvulus	Cathepsin L homolog	0.01	0.0512	0.0667
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.01	0.0512	0.2459
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0009	0.0009
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0096	0.0096
Toxoplasma gondii	cathepsin B	0.0474	0.3446	1
Brugia malayi	Histone deacetylase family protein	0.0046	0.009	0.009
Trypanosoma cruzi	cysteine peptidase, putative	0.01	0.0512	0.0512
Entamoeba histolytica	cysteine protease, putative	0.01	0.0512	0.2838
Brugia malayi	beta-lactamase	0.0036	0.0009	0.0009
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.01	0.0512	0.1485
Echinococcus granulosus	cathepsin b	0.1308	1	1
Toxoplasma gondii	cathepsin CPC2	0.01	0.0512	0.1462

Activities

Activity type	Activity value	Assay description	Source	Reference
LD50 (ADMET)	= 125 mg kg-1	Lethality in 50% (LD50) of male and female CF-1 strain mice weighing 16-25g, intraperitoneal administration	ChEMBL.	7069714
LD50 (ADMET)	= 543 mg kg-1	Dose that produces lethality in 50% (LD50) of male and female carworth farms CF-1 strain mice weighing 16-25 g oral (po) route of administration	ChEMBL.	7069714

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.

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External resources for this compound

ChEMBL: CHEMBL553735

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1044390