TDR Targets

Basic information

Technical information

TDR Targets ID: 987076
Name: 2-[3-(6-hydroxyimidazo[2,1-b][1,3]benzothiazo l-2-yl)propanoylamino]benzoic acid
MW: 381.405 | Formula: C19H15N3O4S
H donors: 3 H acceptors: 5 LogP: 4.11 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccccc1C(=O)O)CCc1cn2c(n1)sc1c2ccc(c1)O
InChi: 1S/C19H15N3O4S/c23-12-6-7-15-16(9-12)27-19-20-11(10-22(15)19)5-8-17(24)21-14-4-2-1-3-13(14)18(25)26/h1-4,6-7,9-10,23H,5,8H2,(H,21,24)(H,25,26)
InChiKey: VAFOLZBSCNLCQB-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

2-[[3-(6-hydroxy-2-imidazo[2,1-b][1,3]benzothiazolyl)-1-oxopropyl]amino]benzoic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	hydroxycarboxylic acid receptor 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	G-protein coupled receptor, putative	hydroxycarboxylic acid receptor 2	363 aa	294 aa	20.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	major cysteine proteinase, putative	0.0043	0.0312	0.0094
Brugia malayi	Cathepsin L-like precursor	0.0078	0.2047	0.1868
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0234	1	1
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0042	0.0223	0.0003
Schistosoma mansoni	aldehyde dehydrogenase	0.0068	0.1573	0.1383
Giardia lamblia	Encystation-specific protease	0.0043	0.0312	1
Leishmania major	cathepsin L-like protease	0.0234	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.1573	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0312	0.0094
Giardia lamblia	Cathepsin B precursor	0.0043	0.0312	1
Onchocerca volvulus	Cathepsin L homolog	0.0234	1	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0121	0.424	0.411
Echinococcus granulosus	cathepsin b	0.0043	0.0312	0.0094
Brugia malayi	Papain family cysteine protease containing protein	0.0043	0.0312	0.0094
Loa Loa (eye worm)	cysteine protease	0.0234	1	1
Loa Loa (eye worm)	hypothetical protein	0.0157	0.6072	0.5984
Echinococcus granulosus	cysteine protease	0.0121	0.424	0.411
Entamoeba histolytica	cysteine protease, putative	0.0043	0.0312	0.0094
Onchocerca volvulus	Cathepsin L homolog	0.0234	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0121	0.424	0.411
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0234	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0043	0.0312	0.0094
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0043	0.0312	0.0094
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.1573	1
Giardia lamblia	Cathepsin L precursor	0.0043	0.0312	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0234	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0312	0.0094
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0043	0.0312	0.0094
Brugia malayi	Papain family cysteine protease containing protein	0.0234	1	1
Loa Loa (eye worm)	hypothetical protein	0.0234	1	1
Echinococcus multilocularis	cysteine protease	0.0234	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0043	0.0312	0.0094
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0078	0.2047	0.1868
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0234	1	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0312	0.0094
Leishmania major	cathepsin L-like protease	0.0234	1	1
Schistosoma mansoni	cathepsin B (C01 family)	0.0043	0.0312	0.0094
Echinococcus multilocularis	cysteine protease	0.0234	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.0312	0.0094
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0312	0.0094
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0157	0.6072	0.5984
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0234	1	1
Toxoplasma gondii	cathepsin CPL	0.0234	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0043	0.0312	0.0094
Entamoeba histolytica	cysteine proteinase, putative	0.0234	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.424	0.411
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0042	0.0223	0.0003
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0234	1	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0068	0.1573	0.1383
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0043	0.0312	1
Toxoplasma gondii	cathepsin CPC1	0.0043	0.0312	0.0094
Onchocerca volvulus		0.0234	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0043	0.0312	0.0094
Echinococcus multilocularis	cathepsin L	0.0043	0.0312	0.0094
Entamoeba histolytica	cysteine protease, putative	0.0121	0.424	0.411
Loa Loa (eye worm)	ctsf protein	0.0234	1	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.2047	0.1868
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0234	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0157	0.6072	0.5984
Giardia lamblia	Cathepsin B precursor	0.0043	0.0312	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0043	0.0312	0.0094
Echinococcus multilocularis	cathepsin L	0.0121	0.424	0.411
Giardia lamblia	Cathepsin B precursor	0.0043	0.0312	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0157	0.6072	0.5984
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0042	0.0223	0.0003
Entamoeba histolytica	cysteine protease, putative	0.0043	0.0312	0.0094
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	1	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0234	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0312	0.0094
Echinococcus multilocularis	cathepsin b	0.0043	0.0312	0.0094
Trypanosoma cruzi	cysteine proteinase, putative	0.0121	0.424	0.411
Brugia malayi	Cathepsin L-like precursor	0.0234	1	1
Leishmania major	cathepsin L-like protease	0.0234	1	1
Giardia lamblia	Hypothetical protein	0.0043	0.0312	1
Brugia malayi	fibroinase precursor	0.0043	0.0312	0.0094
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0234	1	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0078	0.2047	0.1868
Giardia lamblia	Cysteine protease	0.0043	0.0312	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	1	1
Loa Loa (eye worm)	cathepsin B	0.0043	0.0312	0.0094
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0234	1	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0068	0.1573	0.1383
Onchocerca volvulus		0.0234	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0234	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0043	0.0312	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0078	0.2047	0.1868
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0068	0.1573	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0234	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0121	0.424	0.411
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0157	0.6072	0.5984
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0042	0.0223	0.0003
Entamoeba histolytica	cysteine proteinase, putative	0.0121	0.424	0.411
Giardia lamblia	Cathepsin B precursor	0.0043	0.0312	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0234	1	1
Giardia lamblia	Cathepsin L precursor	0.0043	0.0312	1
Onchocerca volvulus	Cathepsin F homolog	0.0234	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0234	1	1
Entamoeba histolytica	cysteine protease, putative	0.0234	1	1
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0037	0	0.5
Plasmodium vivax	vivapain-1	0.0121	0.424	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0121	0.424	0.411
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.424	0.411
Echinococcus granulosus	cathepsin l1	0.0234	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0234	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0043	0.0312	0.0094
Entamoeba histolytica	cysteine protease, putative	0.0043	0.0312	0.0094
Entamoeba histolytica	cysteine protease, putative	0.0121	0.424	0.411
Trypanosoma cruzi	cruzipain precursor, putative	0.0234	1	1
Giardia lamblia	Cathepsin B precursor	0.0043	0.0312	1
Echinococcus granulosus	cathepsin l1	0.0157	0.6072	0.5984
Brugia malayi	cathepsin B-like cysteine proteinase	0.0043	0.0312	0.0094
Brugia malayi	cathepsin F-like cysteine proteinase	0.0043	0.0312	0.0094
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0234	1	1
Entamoeba histolytica	cysteine protease, putative	0.0121	0.424	0.411
Brugia malayi	Cathepsin L-like precursor	0.0234	1	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0043	0.0312	0.0094
Echinococcus multilocularis	cathepsin b	0.0043	0.0312	0.0094
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0043	0.0312	0.0094
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0042	0.0223	0.0003
Schistosoma mansoni	aldehyde dehydrogenase	0.0068	0.1573	0.1383
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0043	0.0312	0.0094
Trypanosoma cruzi	cysteine protease, putative	0.0121	0.424	0.411
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0043	0.0312	0.0094
Schistosoma mansoni	cathepsin F (C01 family)	0.0234	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.0312	0.0094
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0043	0.0312	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.0312	0.0094
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	1	1
Brugia malayi	cathepsin L-like cysteine proteinase	0.0043	0.0312	0.0094
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0043	0.0312	0.0094
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0121	0.424	0.411
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0234	1	1
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0042	0.0223	0.0003
Leishmania major	cathepsin L-like protease	0.0234	1	1
Entamoeba histolytica	cysteine protease, putative	0.0121	0.424	0.411
Giardia lamblia	Cathepsin L precursor	0.0043	0.0312	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0043	0.0312	0.0094
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0043	0.0312	0.0094
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0043	0.0312	0.0094
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0042	0.0223	0.0003
Entamoeba histolytica	cysteine protease, putative	0.0121	0.424	0.411
Entamoeba histolytica	cysteine proteinase, putative	0.0121	0.424	0.411
Entamoeba histolytica	cysteine protease, putative	0.0121	0.424	0.411
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0234	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0223	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0312	0.0094
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0043	0.0312	0.0094
Entamoeba histolytica	cysteine proteinase 2	0.0121	0.424	0.411
Loa Loa (eye worm)	fibroinase	0.0234	1	1
Giardia lamblia	Cathepsin L-like protease	0.0043	0.0312	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0043	0.0312	0.0094
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0043	0.0312	0.0094
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.0312	0.0094
Entamoeba histolytica	cysteine protease, putative	0.0121	0.424	0.411
Entamoeba histolytica	cysteine proteinase 1, putative	0.0121	0.424	0.411
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0042	0.0223	0.0003
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0121	0.424	0.411
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0043	0.0312	0.0094
Echinococcus granulosus	ubiquitin specific protease 41	0.0042	0.0223	0.0003
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0043	0.0312	0.0094
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0234	1	1
Leishmania major	cathepsin L-like protease	0.0234	1	1
Onchocerca volvulus		0.0234	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0043	0.0312	0.0094
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0043	0.0312	0.0094
Brugia malayi	Cathepsin L-like precursor	0.0234	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0234	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0234	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0234	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0043	0.0312	0.0094
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0121	0.424	0.411
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0043	0.0312	0.0094
Giardia lamblia	Hypothetical protein	0.0043	0.0312	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0043	0.0312	0.0094
Giardia lamblia	Cysteine protease	0.0043	0.0312	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0078	0.2047	0.1868
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0043	0.0312	0.0094
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0043	0.0312	0.0094
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0234	1	1
Brugia malayi	Cathepsin L-like precursor	0.0234	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0234	1	1
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0042	0.0223	0.0003
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0041	0.022	0.5
Entamoeba histolytica	cysteine protease, putative	0.0121	0.424	0.411
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0223	0.0003
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	1	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0157	0.6072	0.5984
Plasmodium vivax	unspecified product	0.0121	0.424	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0234	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0312	0.0094
Giardia lamblia	Cysteine protease	0.0043	0.0312	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0043	0.0312	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0234	1	1
Loa Loa (eye worm)	hypothetical protein	0.0157	0.6072	0.5984
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0234	1	1
Giardia lamblia	Cathepsin L precursor	0.0043	0.0312	1
Plasmodium vivax	vivapain-2	0.0234	1	1
Schistosoma mansoni	cathepsin C	0.0043	0.0312	0.0094
Giardia lamblia	Cathepsin L precursor	0.0043	0.0312	1
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0043	0.0312	0.0094
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0042	0.0223	0.0003
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0042	0.0223	0.0003
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0043	0.0312	0.0094
Echinococcus granulosus	cathepsin L	0.0121	0.424	0.411
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0234	1	1
Loa Loa (eye worm)	hypothetical protein	0.0157	0.6072	0.5984
Trypanosoma cruzi	cruzipain precursor, putative	0.0078	0.2047	0.1868
Plasmodium vivax	unspecified product	0.0078	0.2047	0.1791
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0043	0.0312	0.0094
Entamoeba histolytica	cysteine proteinase, putative	0.0121	0.424	0.411
Toxoplasma gondii	cathepsin B	0.0043	0.0312	0.0094
Giardia lamblia	Cathepsin B-like cysteine proteinase 3 precursor	0.0043	0.0312	1
Onchocerca volvulus		0.0234	1	1
Plasmodium vivax	vivapain-3	0.0121	0.424	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0157	0.6072	0.5984
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0043	0.0312	0.0094
Trypanosoma cruzi	cysteine proteinase, putative	0.0121	0.424	0.411
Entamoeba histolytica	cysteine protease, putative	0.0043	0.0312	0.0094
Onchocerca volvulus		0.0157	0.6072	0.5946
Leishmania major	cathepsin L-like protease	0.0234	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.0312	0.0094
Leishmania major	cysteine peptidase A (CPA)	0.0234	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.424	0.411
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0042	0.0223	0.0003
Trypanosoma cruzi	cysteine peptidase, putative	0.0234	1	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.2047	0.1868
Onchocerca volvulus		0.0234	1	1
Giardia lamblia	Cathepsin L precursor	0.0043	0.0312	1
Leishmania major	cathepsin L-like protease	0.0234	1	1
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0043	0.0312	0.0094
Brugia malayi	Papain family cysteine protease containing protein	0.0043	0.0312	0.0094
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0234	1	1
Brugia malayi	cathepsin L-like precursor	0.0157	0.6072	0.5984
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0043	0.0312	0.0094
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0043	0.0312	0.0094
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0043	0.0312	0.0094
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0234	1	1
Giardia lamblia	Cathepsin L-like protease	0.0043	0.0312	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.1573	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0043	0.0312	0.0094
Toxoplasma gondii	cathepsin CPC2	0.0043	0.0312	0.0094
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.0312	0.0094
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0234	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0121	0.424	0.411
Brugia malayi	Papain family cysteine protease containing protein	0.0121	0.424	0.411
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0234	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0234	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0312	0.0094
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0068	0.1573	0.1383
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0234	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0234	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0312	0.0094
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0043	0.0312	0.0094
Onchocerca volvulus		0.0234	1	1
Brugia malayi	Cathepsin L-like precursor	0.0157	0.6072	0.5984
Echinococcus granulosus	cathepsin L	0.0043	0.0312	0.0094
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0042	0.0223	0.0003
Schistosoma mansoni	cathepsin s	0.0078	0.2047	0.1868
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0234	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	1	1
Giardia lamblia	Cysteine protease	0.0043	0.0312	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0068	0.1573	0.1383
Giardia lamblia	Cathepsin B precursor	0.0043	0.0312	1
Brugia malayi	Cathepsin L-like precursor	0.0234	1	1
Echinococcus multilocularis	ubiquitin specific protease 41	0.0042	0.0223	0.0003
Onchocerca volvulus		0.0234	1	1
Leishmania major	cathepsin L-like protease	0.0234	1	1
Schistosoma mansoni	cathepsin S (C01 family)	0.0043	0.0312	0.0094
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0157	0.6072	0.5984
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0042	0.0223	0.0003
Echinococcus granulosus	cathepsin b	0.0043	0.0312	0.0094
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.424	0.411
Entamoeba histolytica	cysteine protease, putative	0.0121	0.424	0.411
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0043	0.0312	0.0094
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0234	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0043	0.0312	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0312	0.0094
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0121	0.424	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0121	0.424	0.411
Giardia lamblia	Cathepsin B precursor	0.0043	0.0312	1
Giardia lamblia	Cathepsin B precursor	0.0043	0.0312	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	1	1
Brugia malayi	cathepsin L precursor	0.0043	0.0312	0.0094
Trypanosoma cruzi	cysteine peptidase, putative	0.0078	0.2047	0.1868
Brugia malayi	Papain family cysteine protease containing protein	0.0121	0.424	0.411
Entamoeba histolytica	cysteine protease, putative	0.0043	0.0312	0.0094
Plasmodium vivax	vivapain-2	0.0234	1	1
Entamoeba histolytica	cysteine protease, putative	0.0043	0.0312	0.0094
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0234	1	1
Entamoeba histolytica	cysteine protease, putative	0.0121	0.424	0.411
Entamoeba histolytica	cysteine protease, putative	0.0121	0.424	0.411

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 0.12 uM	Agonist activity at human GPR109A expressed in CHOK1 cells by [35S]GTPgammaS binding assay	ChEMBL.	19309152
IC50 (binding)	= 0.011 uM	Displacement of [3H]niacin from human GPR109A expressed in CHO cells	ChEMBL.	19309152
Ratio IC50 (binding)	= 1000	Ratio of IC50 for displacement of [3H]niacin from human GPR109A in presence of 4% human serum to absence of serum	ChEMBL.	19309152

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: CHEMBL484783

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 987076