TDR Targets

Basic information

Technical information

TDR Targets ID: 901173
Name: ethyl (5Z)-2-[(4-methoxyphenyl)amino]-4-oxo-5 -[(3,4,5-trimethoxyphenyl)methylidene]thiophe ne-3-carboxylate
MW: 471.523 | Formula: C24H25NO7S
H donors: 1 H acceptors: 2 LogP: 5.34 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C1=C(Nc2ccc(cc2)OC)S/C(=C\c2cc(OC)c(c(c2)OC)OC)/C1=O
InChi: 1S/C24H25NO7S/c1-6-32-24(27)20-21(26)19(33-23(20)25-15-7-9-16(28-2)10-8-15)13-14-11-17(29-3)22(31-5)18(12-14)30-4/h7-13,25H,6H2,1-5H3/b19-13-
InChiKey: YJSXUNDALGQAMJ-UYRXBGFRSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

ethyl 2-[(4-methoxyphenyl)amino]-4-oxo-5-[(3,4,5-trimethoxyphenyl)methylidene]thiophene-3-carboxylate
ethyl 2-[(4-methoxyphenyl)amino]-4-oxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiophene-3-carboxylate
ethyl (5Z)-2-[(4-methoxyphenyl)amino]-4-oxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiophene-3-carboxylate
(5Z)-2-[(4-methoxyphenyl)amino]-4-oxo-5-[(3,4,5-trimethoxyphenyl)methylene]-3-thiophenecarboxylic acid ethyl ester
2-[(4-methoxyphenyl)amino]-4-oxo-5-[(3,4,5-trimethoxyphenyl)methylene]-3-thiophenecarboxylic acid ethyl ester
(5Z)-4-keto-2-[(4-methoxyphenyl)amino]-5-(3,4,5-trimethoxybenzylidene)thiophene-3-carboxylic acid ethyl ester
4-keto-2-[(4-methoxyphenyl)amino]-5-(3,4,5-trimethoxybenzylidene)thiophene-3-carboxylic acid ethyl ester
SMR000194570
ethyl 2-[(4-methoxyphenyl)amino]-4-oxo-5-(3,4,5-trimethoxybenzylidene)-4,5-dihydro-3-thiophenecarboxylate
MLS000572708
ZINC08438394
AN-989/14669003

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	Niemann-Pick disease, type C1	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	neuropeptide S receptor 1	Starlite/ChEMBL	No references
Homo sapiens	mitogen-activated protein kinase 1	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Leishmania braziliensis	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei gambiense	protein kinase, putative,tyrosine protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	MAP kinase-like orf	Get druggable targets OG5_126781	All targets in OG5_126781
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania infantum	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus granulosus	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Schistosoma japonicum	Mitogen-activated protein kinase 3, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Leishmania mexicana	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Giardia lamblia	Kinase, CMGC MAPK	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	Serine/threonine protein kinase of MAP kinase family	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus granulosus	mitogen activated protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Cryptosporidium parvum	MAPK, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania infantum	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	mitogen activated protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
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
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus granulosus	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus granulosus	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma japonicum	ko:K07003 Niemann Pick type C1, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Candida albicans	MAP kinase-like orf	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei gambiense	mitogen-activated protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	Mitogen-activated protein kinase 3, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Cryptosporidium hominis	MAPK	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus granulosus	mitogen activated protein kinase 3	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	MAP kinase implicated in PKC1-controlled signalling pathway	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma congolense	tyrosine protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Brugia malayi	Niemann-Pick C1 protein precursor	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	ko:K04371 extracellular signal-regulated kinase 1/2, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania braziliensis	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania donovani	mitogen-activated protein kinase 4	Get druggable targets OG5_126781	All targets in OG5_126781
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Entamoeba histolytica	Niemann-Pick C1 protein, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma mansoni	niemann-pick C1 (NPC1)	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Leishmania donovani	mitogen activated protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei	protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
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	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Candida albicans	potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	mitogen activated protein kinase 3	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	Serine/threonine protein kinase of MAP kinase family	Get druggable targets OG5_126781	All targets in OG5_126781
Brugia malayi	MAP kinase sur-1	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania mexicana	mitogen-activated protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei	mitogen activated protein kinase 4, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 1	360 aa	361 aa	33.2 %
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
Brugia malayi	Cathepsin L-like precursor	0.126	0.477	0.477
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.029	0.0931	0.0931
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.126	0.477	1
Onchocerca volvulus		0.126	0.477	1
Loa Loa (eye worm)	cysteine protease	0.126	0.477	0.477
Loa Loa (eye worm)	hypothetical protein	0.029	0.0931	0.0931
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0683	0.2487	0.2468
Loa Loa (eye worm)	hypothetical protein	0.029	0.0931	0.0931
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.126	0.477	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.029	0.0931	0.1909
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.126	0.477	1
Brugia malayi	fibroinase precursor	0.029	0.0931	0.0931
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.2581	1	1
Echinococcus granulosus	mitogen activated protein kinase	0.0062	0.0025	0.0025
Echinococcus multilocularis	protein dispatched 1	0.0058	0.0012	0.0012
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.126	0.477	1
Leishmania major	cathepsin L-like protease	0.126	0.477	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.029	0.0931	0.1909
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.126	0.477	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0683	0.2487	0.5189
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.126	0.477	1
Loa Loa (eye worm)	hypothetical protein	0.0867	0.3214	0.3214
Brugia malayi	MAP kinase sur-1	0.0062	0.0025	0.0025
Toxoplasma gondii	cathepsin B	0.0999	0.3736	0.782
Brugia malayi	cathepsin Z-like cysteine proteinase	0.029	0.0931	0.0931
Giardia lamblia	Cathepsin B-like cysteine proteinase 3 precursor	0.029	0.0931	0.2441
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0683	0.2487	0.2487
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.029	0.0931	0.1909
Toxoplasma gondii	cathepsin CPC2	0.029	0.0931	0.1909
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.029	0.0931	0.0931
Brugia malayi	Cathepsin L-like precursor	0.126	0.477	0.477
Trypanosoma cruzi	cysteine peptidase, putative	0.0683	0.2487	0.2468
Echinococcus multilocularis	muscleblind protein	0.018	0.0496	0.0496
Trypanosoma cruzi	major cysteine proteinase, putative	0.029	0.0931	0.0908
Loa Loa (eye worm)	hypothetical protein	0.0393	0.1338	0.1338
Echinococcus granulosus	expressed conserved protein	0.0112	0.0224	0.0224
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.029	0.0931	0.0931
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.126	0.477	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.2581	1	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0683	0.2487	0.4054
Echinococcus multilocularis	cathepsin L	0.0683	0.2487	0.2487
Echinococcus granulosus	cathepsin b	0.2581	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.126	0.477	0.477
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.029	0.0931	0.2441
Giardia lamblia	Cathepsin B precursor	0.029	0.0931	0.2441
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.029	0.0931	0.2441
Brugia malayi	Papain family cysteine protease containing protein	0.029	0.0931	0.0931
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.126	0.477	1
Brugia malayi	Cathepsin L-like precursor	0.126	0.477	0.477
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.126	0.477	0.477
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.126	0.477	0.477
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.029	0.0931	0.0931
Loa Loa (eye worm)	ctsf protein	0.126	0.477	0.477
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.126	0.477	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0558	0.1993	0.1993
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0867	0.3214	0.672
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.126	0.477	1
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0252	0.0252
Loa Loa (eye worm)	hypothetical protein	0.018	0.0496	0.0496
Trypanosoma cruzi	cruzipain precursor, putative	0.126	0.477	0.4757
Giardia lamblia	Cathepsin B precursor	0.0999	0.3736	1
Giardia lamblia	Cathepsin L precursor	0.029	0.0931	0.2441
Trypanosoma cruzi	cysteine proteinase, putative	0.0683	0.2487	0.2468
Entamoeba histolytica	cysteine protease, putative	0.029	0.0931	0.1502
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.126	0.477	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0867	0.3214	0.672
Brugia malayi	cathepsin F-like cysteine proteinase	0.029	0.0931	0.0931
Trypanosoma cruzi	cysteine peptidase, putative	0.126	0.477	0.4757
Echinococcus granulosus	cathepsin L cysteine proteinase	0.126	0.477	0.477
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.029	0.0931	0.0931
Loa Loa (eye worm)	hypothetical protein	0.029	0.0931	0.0931
Entamoeba histolytica	cysteine protease, putative	0.0683	0.2487	0.4947
Giardia lamblia	Cathepsin L precursor	0.029	0.0931	0.2441
Giardia lamblia	Cathepsin L precursor	0.029	0.0931	0.2441
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.029	0.0931	0.1909
Brugia malayi	cathepsin Z-like cysteine proteinase	0.029	0.0931	0.0931
Leishmania major	cathepsin L-like protease	0.126	0.477	1
Entamoeba histolytica	cysteine protease, putative	0.029	0.0931	0.1502
Loa Loa (eye worm)	fibroinase	0.126	0.477	0.477
Echinococcus granulosus	cysteine protease	0.0683	0.2487	0.2487
Giardia lamblia	Cathepsin B precursor	0.0999	0.3736	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.029	0.0931	0.0931
Toxoplasma gondii	cathepsin CPL	0.126	0.477	1
Loa Loa (eye worm)	hypothetical protein	0.029	0.0931	0.0931
Brugia malayi	Papain family cysteine protease containing protein	0.0683	0.2487	0.2487
Giardia lamblia	Cathepsin L precursor	0.029	0.0931	0.2441
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0062	0.0025	0.0025
Onchocerca volvulus		0.126	0.477	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0999	0.3736	0.782
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.126	0.477	1
Loa Loa (eye worm)	hypothetical protein	0.018	0.0496	0.0496
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.126	0.477	1
Entamoeba histolytica	cysteine protease, putative	0.0683	0.2487	0.4947
Brugia malayi	Muscleblind-like protein	0.018	0.0496	0.0496
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.126	0.477	0.477
Entamoeba histolytica	cysteine proteinase, putative	0.0867	0.3214	0.6555
Entamoeba histolytica	cysteine protease, putative	0.0683	0.2487	0.4947
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.126	0.477	1
Giardia lamblia	Cysteine protease	0.029	0.0931	0.2441
Entamoeba histolytica	hypothetical protein	0.029	0.0931	0.1502
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.2581	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.126	0.477	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.029	0.0931	0.1909
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.126	0.477	1
Entamoeba histolytica	cysteine protease, putative	0.0683	0.2487	0.4947
Echinococcus multilocularis	cysteine protease	0.126	0.477	0.477
Loa Loa (eye worm)	hypothetical protein	0.029	0.0931	0.0931
Toxoplasma gondii	cathepsin CPC1	0.029	0.0931	0.1909
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.126	0.477	1
Echinococcus granulosus	cathepsin L	0.0683	0.2487	0.2487
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.029	0.0931	0.0931
Entamoeba histolytica	cysteine protease, putative	0.0683	0.2487	0.4947
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.029	0.0931	0.1909
Brugia malayi	Cathepsin L-like precursor	0.0867	0.3214	0.3214
Plasmodium vivax	vivapain-1	0.0683	0.2487	0.4054
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.029	0.0931	0.0931
Echinococcus granulosus	mitogen activated protein kinase 3	0.0062	0.0025	0.0025
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.126	0.477	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.029	0.0931	0.0931
Echinococcus multilocularis	expressed conserved protein	0.0112	0.0224	0.0224
Brugia malayi	Cathepsin L-like precursor	0.126	0.477	0.477
Leishmania major	cathepsin L-like protease	0.126	0.477	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.029	0.0931	0.0931
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.126	0.477	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0867	0.3214	0.3214
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0999	0.3736	0.3736
Onchocerca volvulus		0.126	0.477	1
Brugia malayi	cathepsin L precursor	0.029	0.0931	0.0931
Onchocerca volvulus		0.0867	0.3214	0.5946
Giardia lamblia	Cathepsin B precursor	0.029	0.0931	0.2441
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.029	0.0931	0.0931
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0683	0.2487	0.2487
Onchocerca volvulus	Cathepsin F homolog	0.126	0.477	1
Plasmodium vivax	unspecified product	0.0393	0.1338	0.1061
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.126	0.477	1
Giardia lamblia	Hypothetical protein	0.029	0.0931	0.2441
Entamoeba histolytica	cysteine protease, putative	0.0683	0.2487	0.4947
Brugia malayi	Papain family cysteine protease containing protein	0.029	0.0931	0.0931
Loa Loa (eye worm)	hypothetical protein	0.0393	0.1338	0.1338
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.126	0.477	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.126	0.477	1
Trypanosoma cruzi	cysteine protease, putative	0.0683	0.2487	0.2468
Entamoeba histolytica	cysteine protease, putative	0.0683	0.2487	0.4947
Schistosoma mansoni	cathepsin B (C01 family)	0.029	0.0931	0.0931
Onchocerca volvulus		0.126	0.477	1
Entamoeba histolytica	cysteine protease, putative	0.0683	0.2487	0.4947
Entamoeba histolytica	cysteine protease, putative	0.0683	0.2487	0.4947
Echinococcus multilocularis	Niemann Pick C1 protein	0.0119	0.0252	0.0252
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.029	0.0931	0.1909
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.126	0.477	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.2581	1	1
Giardia lamblia	Cathepsin B precursor	0.029	0.0931	0.2441
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.126	0.477	1
Brugia malayi	Cathepsin L-like precursor	0.0393	0.1338	0.1338
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.126	0.477	1
Loa Loa (eye worm)	hypothetical protein	0.2581	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.126	0.477	1
Echinococcus granulosus	cathepsin L	0.029	0.0931	0.0931
Entamoeba histolytica	cysteine protease, putative	0.0683	0.2487	0.4947
Leishmania major	cathepsin L-like protease	0.126	0.477	1
Giardia lamblia	Cysteine protease	0.029	0.0931	0.2441
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.029	0.0931	0.1909
Echinococcus granulosus	cathepsin l1	0.0867	0.3214	0.3214
Onchocerca volvulus		0.126	0.477	1
Trichomonas vaginalis	conserved hypothetical protein	0.029	0.0931	0.1909
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.029	0.0931	0.1502
Onchocerca volvulus	Cathepsin L homolog	0.126	0.477	1
Giardia lamblia	Cathepsin B precursor	0.029	0.0931	0.2441
Plasmodium vivax	vivapain-2	0.126	0.477	1
Entamoeba histolytica	cysteine proteinase, putative	0.0683	0.2487	0.4947
Trichomonas vaginalis	conserved hypothetical protein	0.029	0.0931	0.1909
Echinococcus multilocularis	Niemann Pick C1 protein	0.017	0.0454	0.0454
Onchocerca volvulus	Cathepsin L homolog	0.126	0.477	1
Loa Loa (eye worm)	hypothetical protein	0.0867	0.3214	0.3214
Echinococcus granulosus	cathepsin l1	0.126	0.477	0.477
Entamoeba histolytica	cysteine protease, putative	0.029	0.0931	0.1502
Echinococcus multilocularis	cathepsin b	0.2581	1	1
Schistosoma mansoni	cathepsin C	0.029	0.0931	0.0931
Leishmania major	cathepsin L-like protease	0.126	0.477	1
Trypanosoma cruzi	cysteine peptidase, putative	0.126	0.477	0.4757
Giardia lamblia	Cathepsin L precursor	0.029	0.0931	0.2441
Echinococcus multilocularis	cysteine protease	0.126	0.477	0.477
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.126	0.477	0.477
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.029	0.0931	0.1909
Leishmania major	cathepsin L-like protease	0.126	0.477	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.029	0.0931	0.1909
Entamoeba histolytica	cysteine protease, putative	0.029	0.0931	0.1502
Plasmodium vivax	unspecified product	0.0683	0.2487	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.126	0.477	1
Leishmania major	cysteine peptidase A (CPA)	0.126	0.477	1
Echinococcus multilocularis	mitogen activated protein kinase	0.0062	0.0025	0.0025
Plasmodium falciparum	cysteine proteinase falcipain 3	0.126	0.477	1
Onchocerca volvulus		0.126	0.477	1
Entamoeba histolytica	cysteine protease, putative	0.029	0.0931	0.1502
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0683	0.2487	0.5189
Giardia lamblia	Cathepsin L-like protease	0.029	0.0931	0.2441
Echinococcus multilocularis	cathepsin L cysteine protease	0.126	0.477	0.477
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.126	0.477	1
Echinococcus granulosus	neuropeptide s receptor	0.0558	0.1993	0.1993
Entamoeba histolytica	cysteine proteinase 2	0.0683	0.2487	0.4947
Echinococcus granulosus	muscleblind protein	0.018	0.0496	0.0496
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.029	0.0931	0.1909
Entamoeba histolytica	cysteine proteinase, putative	0.0683	0.2487	0.4947
Brugia malayi	Cathepsin L-like precursor	0.126	0.477	0.477
Schistosoma mansoni	cathepsin s	0.0393	0.1338	0.1338
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0683	0.2487	0.2487
Entamoeba histolytica	cysteine protease, putative	0.0683	0.2487	0.4947
Giardia lamblia	Cysteine protease	0.029	0.0931	0.2441
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0121	0.0259	0.0259
Brugia malayi	Papain family cysteine protease containing protein	0.126	0.477	0.477
Giardia lamblia	Cathepsin B precursor	0.0999	0.3736	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.126	0.477	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.2581	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.126	0.477	1
Giardia lamblia	Hypothetical protein	0.029	0.0931	0.2441
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0683	0.2487	0.5189
Echinococcus multilocularis	cathepsin L	0.029	0.0931	0.0931
Onchocerca volvulus		0.126	0.477	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.029	0.0931	0.1909
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.126	0.477	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.029	0.0931	0.1909
Entamoeba histolytica	cysteine proteinase, putative	0.0683	0.2487	0.4947
Trypanosoma cruzi	cysteine peptidase, putative	0.126	0.477	0.4757
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.029	0.0931	0.0931
Schistosoma mansoni	cathepsin F (C01 family)	0.126	0.477	0.477
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.126	0.477	1
Plasmodium vivax	vivapain-3	0.0683	0.2487	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.126	0.477	1
Toxoplasma gondii	preprocathepsin c precursor, putative	0.029	0.0931	0.1909
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0393	0.1338	0.1338
Loa Loa (eye worm)	hypothetical protein	0.126	0.477	0.477
Entamoeba histolytica	cysteine protease, putative	0.0683	0.2487	0.4947
Echinococcus multilocularis	neuropeptide s receptor	0.0558	0.1993	0.1993
Echinococcus granulosus	cathepsin b	0.2581	1	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0683	0.2487	0.4947
Trypanosoma cruzi	cysteine peptidase, putative	0.126	0.477	0.4757
Echinococcus granulosus	cathepsin L cysteine protease	0.0683	0.2487	0.2487
Loa Loa (eye worm)	hypothetical protein	0.0393	0.1338	0.1338
Brugia malayi	Niemann-Pick C1 protein precursor	0.0119	0.0252	0.0252
Trypanosoma cruzi	cysteine peptidase, putative	0.0393	0.1338	0.1316
Loa Loa (eye worm)	hypothetical protein	0.029	0.0931	0.0931
Schistosoma mansoni	cathepsin F (C01 family)	0.126	0.477	0.477
Brugia malayi	Papain family cysteine protease containing protein	0.0683	0.2487	0.2487
Brugia malayi	Cathepsin L-like precursor	0.0867	0.3214	0.3214
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0867	0.3214	0.3214
Echinococcus multilocularis	muscleblind protein 1	0.018	0.0496	0.0496
Brugia malayi	Cathepsin L-like precursor	0.126	0.477	0.477
Giardia lamblia	Cathepsin B precursor	0.029	0.0931	0.2441
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.126	0.477	1
Leishmania major	cathepsin L-like protease	0.126	0.477	1
Leishmania major	cathepsin L-like protease	0.126	0.477	1
Giardia lamblia	Cysteine protease	0.029	0.0931	0.2441
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.126	0.477	1
Entamoeba histolytica	cysteine proteinase, putative	0.126	0.477	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0867	0.3214	0.3197
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0999	0.3736	0.782
Entamoeba histolytica	cysteine protease, putative	0.029	0.0931	0.1502
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.029	0.0931	0.0931
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.0025	0.0025
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.126	0.477	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.126	0.477	1
Entamoeba histolytica	cysteine proteinase, putative	0.0683	0.2487	0.4947
Echinococcus granulosus	neuropeptide receptor A26	0.0558	0.1993	0.1993
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0999	0.3736	0.372
Brugia malayi	Papain family cysteine protease containing protein	0.029	0.0931	0.0931
Entamoeba histolytica	cysteine protease, putative	0.126	0.477	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0393	0.1338	0.1338
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.3659	0.3659
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0393	0.1338	0.1338
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.029	0.0931	0.1909
Plasmodium vivax	vivapain-2	0.126	0.477	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0393	0.1338	0.1316
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.029	0.0931	0.2441
Giardia lamblia	Cathepsin L precursor	0.029	0.0931	0.2441
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.126	0.477	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.029	0.0931	0.1909
Brugia malayi	cathepsin L-like cysteine proteinase	0.029	0.0931	0.0931
Loa Loa (eye worm)	hypothetical protein	0.0867	0.3214	0.3214
Echinococcus multilocularis	cathepsin b	0.2581	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.029	0.0931	0.1909
Giardia lamblia	Cathepsin L-like protease	0.029	0.0931	0.2441
Trypanosoma cruzi	cysteine proteinase, putative	0.0683	0.2487	0.2468
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0062	0.0025	0.0025
Giardia lamblia	Encystation-specific protease	0.029	0.0931	0.2441
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0999	0.3736	0.782
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.029	0.0931	0.1909
Echinococcus granulosus	Niemann Pick C1 protein	0.0119	0.0252	0.0252
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0683	0.2487	0.5189
Echinococcus granulosus	Niemann Pick C1 protein	0.017	0.0454	0.0454
Schistosoma mansoni	cathepsin S (C01 family)	0.029	0.0931	0.0931
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.029	0.0931	0.1502
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0029	0.0029
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.126	0.477	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.029	0.0931	0.0908
Brugia malayi	cathepsin L-like precursor	0.0867	0.3214	0.3214
Loa Loa (eye worm)	cathepsin B	0.0999	0.3736	0.3736
Entamoeba histolytica	cysteine protease, putative	0.0683	0.2487	0.4947
Echinococcus granulosus	cathepsin l cysteine peptidase	0.126	0.477	0.477

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 80 uM	PubChem BioAssay. Dose response counterscreen for EBI2 assay utilizing the enzyme, b-galactosidase. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 2.8184 um	PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 4.4668 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 6.3096 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ]	ChEMBL.	No reference
Potency (binding)	8.9125 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	13.1154 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)	13.1154 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)	18.3564 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)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 22.3872 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)	25.929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (binding)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	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: CHEMBL1439590
Search by Saint Jude

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 901173