TDR Targets

Basic information

Technical information

TDR Targets ID: 1300994
Name: ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-be nzothiophen-2-yl)amino]-2-(ethoxycarbonylamin o)-3,3,3-trifluoropropanoate
MW: 437.434 | Formula: C17H22F3N3O5S
H donors: 3 H acceptors: 3 LogP: 4.02 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)NC(C(F)(F)F)(C(=O)OCC)Nc1sc2c(c1C(=O)N)CCCC2
InChi: 1S/C17H22F3N3O5S/c1-3-27-14(25)16(17(18,19)20,23-15(26)28-4-2)22-13-11(12(21)24)9-7-5-6-8-10(9)29-13/h22H,3-8H2,1-2H3,(H2,21,24)(H,23,26)
InChiKey: HNZGOVROJXXBJZ-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

ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoro-propanoate
2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoic acid ethyl ester
2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-(carbethoxyamino)-3,3,3-trifluoro-propionic acid ethyl ester
ethyl 2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(ethoxycarbonylamino)-3,3,3-trifluoro-propanoate
SMR000036162
MLS000038656
AG-205/12909052
A2030/0085250

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Starlite/ChEMBL	No references
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, alpha	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma japonicum	Lysosomal alpha-glucosidase precursor, putative	Get druggable targets OG5_127055	All targets in OG5_127055
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Onchocerca volvulus		Get druggable targets OG5_127055	All targets in OG5_127055
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Giardia lamblia	Fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Treponema pallidum	fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	ko:K01187 alpha-glucosidase [EC3.2.1.20], putative	Get druggable targets OG5_127055	All targets in OG5_127055
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Echinococcus granulosus	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Brugia malayi	Glycosyl hydrolases family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.5 %
Mycobacterium ulcerans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	26.9 %
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.8 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0172	0.4163	0.5
Giardia lamblia	Encystation-specific protease	0.0096	0.1693	0.1113
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0144	0.3228	0.3228
Entamoeba histolytica	cysteine proteinase, putative	0.0052	0.0263	0.0263
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0097	0.1709	0.2688
Entamoeba histolytica	cysteine protease, putative	0.0052	0.0263	0.0263
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0218	0.5645	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.1709	0.1709
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0097	0.1709	0.1709
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0723	0.1077
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0097	0.1709	0.2545
Entamoeba histolytica	cysteine protease, putative	0.0097	0.1709	0.1709
Loa Loa (eye worm)	ctsf protein	0.0097	0.1709	0.2545
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0052	0.0263	0.0465
Entamoeba histolytica	cysteine proteinase 1, putative	0.0052	0.0263	0.0263
Entamoeba histolytica	cysteine proteinase, putative	0.0052	0.0263	0.0263
Entamoeba histolytica	cysteine protease, putative	0.0052	0.0263	0.0263
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.1709	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0097	0.1709	0.3453
Entamoeba histolytica	cysteine protease, putative	0.0052	0.0263	0.0263
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0096	0.1693	0.2657
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0159	0.3726	0.6602
Schistosoma mansoni	cathepsin F (C01 family)	0.0097	0.1709	0.3028
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0097	0.1709	0.1709
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0218	0.5645	1
Echinococcus granulosus	cathepsin l1	0.0066	0.0723	0.1461
Brugia malayi	Cathepsin L-like precursor	0.0097	0.1709	0.2545
Brugia malayi	cathepsin B-like cysteine proteinase	0.0159	0.3726	0.555
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0064	0.0653	0.3819
Toxoplasma gondii	cathepsin B	0.0064	0.0653	0.1157
Entamoeba histolytica	cysteine proteinase, putative	0.0052	0.0263	0.0263
Loa Loa (eye worm)	fibroinase	0.0097	0.1709	0.2545
Entamoeba histolytica	cysteine proteinase 2	0.0052	0.0263	0.0263
Toxoplasma gondii	cathepsin CPL	0.0097	0.1709	0.3028
Toxoplasma gondii	cathepsin CPC1	0.0218	0.5645	1
Entamoeba histolytica	cysteine proteinase, putative	0.0066	0.0723	0.0723
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0197	0.495	0.7372
Echinococcus multilocularis	cathepsin L cysteine protease	0.0097	0.1709	0.3453
Echinococcus multilocularis	cathepsin b	0.0159	0.3726	0.7529
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0096	0.1693	0.1113
Onchocerca volvulus		0.0097	0.1709	0.1386
Onchocerca volvulus		0.0097	0.1709	0.1386
Echinococcus granulosus	lysosomal alpha glucosidase	0.0197	0.495	1
Loa Loa (eye worm)	cysteine protease	0.0097	0.1709	0.2545
Schistosoma mansoni	cathepsin F (C01 family)	0.0066	0.0723	0.1281
Echinococcus multilocularis	cysteine protease	0.0097	0.1709	0.3453
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.0263	0.0263
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0218	0.5645	1
Brugia malayi	Cathepsin L-like precursor	0.0066	0.0723	0.1077
Echinococcus multilocularis	cathepsin L	0.0052	0.0263	0.0531
Onchocerca volvulus		0.0097	0.1709	0.1386
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0097	0.1709	0.3453
Leishmania major	cathepsin L-like protease	0.0097	0.1709	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.1709	0.1709
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0218	0.5645	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0097	0.1709	0.2688
Trypanosoma cruzi	cysteine peptidase, putative	0.0052	0.0263	0.0705
Brugia malayi	Cathepsin L-like precursor	0.0097	0.1709	0.2545
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0218	0.5645	1
Brugia malayi	Cathepsin L-like precursor	0.0097	0.1709	0.2545
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.015	0.0223
Echinococcus multilocularis	cysteine protease	0.0097	0.1709	0.3453
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0096	0.1693	0.2657
Trypanosoma cruzi	cysteine protease, putative	0.0052	0.0263	0.0705
Echinococcus granulosus	cysteine protease	0.0052	0.0263	0.0531
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0197	0.495	0.7372
Brugia malayi	Cathepsin L-like precursor	0.0097	0.1709	0.2545
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.015	0.0223
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0097	0.1709	0.1709
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0159	0.3726	0.6602
Giardia lamblia	Fructose-bisphosphate aldolase	0.0353	1	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0723	0.1077
Entamoeba histolytica	cysteine protease, putative	0.0052	0.0263	0.0263
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0159	0.3726	0.6602
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.495	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0097	0.1709	0.3453
Loa Loa (eye worm)	cathepsin B	0.0064	0.0653	0.0972
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.1709	0.1709
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.0263	0.0263
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.1709	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0052	0.0263	0.0531
Treponema pallidum	fructose-bisphosphate aldolase	0.0353	1	0.5
Leishmania major	cathepsin L-like protease	0.0097	0.1709	1
Plasmodium vivax	vivapain-2	0.0097	0.1709	0.2688
Leishmania major	cathepsin L-like protease	0.0097	0.1709	1
Onchocerca volvulus	Cathepsin L homolog	0.0097	0.1709	0.1386
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0097	0.1709	0.3028
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	1	1
Brugia malayi	Cathepsin L-like precursor	0.0097	0.1709	0.2545
Echinococcus granulosus	cathepsin b	0.0159	0.3726	0.7529
Leishmania major	cysteine peptidase A (CPA)	0.0097	0.1709	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.495	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0097	0.1709	0.4587
Echinococcus granulosus	cathepsin l1	0.0097	0.1709	0.3453
Leishmania major	cathepsin L-like protease	0.0097	0.1709	1
Brugia malayi	Cathepsin L-like precursor	0.0066	0.0723	0.1077
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0097	0.1709	0.1709
Trypanosoma cruzi	cysteine proteinase, putative	0.0052	0.0263	0.0705
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.0723	0.0723
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.1709	1
Entamoeba histolytica	cysteine protease, putative	0.0052	0.0263	0.0263
Brugia malayi	Papain family cysteine protease containing protein	0.0097	0.1709	0.2545
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.1709	0.1709
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0723	0.1077
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0097	0.1709	0.1709
Toxoplasma gondii	cathepsin CPC2	0.0096	0.1693	0.2999
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.1709	0.1709
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0159	0.3726	0.6602
Schistosoma mansoni	alpha-glucosidase	0.0169	0.4064	0.72
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0097	0.1709	0.1709
Leishmania major	cathepsin L-like protease	0.0097	0.1709	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0097	0.1709	0.3453
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.015	0.0223
Onchocerca volvulus	Cathepsin F homolog	0.0097	0.1709	0.1386
Entamoeba histolytica	cysteine proteinase, putative	0.0097	0.1709	0.1709
Entamoeba histolytica	cysteine protease, putative	0.0052	0.0263	0.0263
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0066	0.0723	0.1077
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.1709	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0066	0.0723	0.194
Entamoeba histolytica	cysteine protease, putative	0.0052	0.0263	0.0263
Entamoeba histolytica	cysteine protease, putative	0.0052	0.0263	0.0263
Echinococcus multilocularis	cathepsin L cysteine protease	0.0097	0.1709	0.3453
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0172	0.4163	0.5
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0172	0.4163	0.5
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0064	0.0653	0.1752
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0064	0.0653	0.1157
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0097	0.1709	0.2545
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.1709	0.1709
Echinococcus granulosus	cathepsin L	0.0052	0.0263	0.0531
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0097	0.1709	0.2688
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0052	0.0263	0.0705
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0052	0.0263	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1709	0.2545
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0097	0.1709	0.1709
Echinococcus multilocularis	cathepsin b	0.0159	0.3726	0.7529
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.7837	0.7837
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.1709	0.1709
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0096	0.1693	0.1113
Schistosoma mansoni	alpha-glucosidase	0.0169	0.4064	0.72
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	1	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.015	0.0223
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0052	0.0263	0.1537
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.1709	0.1709
Entamoeba histolytica	cysteine proteinase, putative	0.0097	0.1709	0.1709
Brugia malayi	Cathepsin L-like precursor	0.0097	0.1709	0.2545
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0218	0.5645	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0052	0.0263	0.0465
Entamoeba histolytica	cysteine proteinase, putative	0.0052	0.0263	0.0263
Leishmania major	cathepsin L-like protease	0.0097	0.1709	1
Brugia malayi	cathepsin L-like precursor	0.0066	0.0723	0.1077
Trypanosoma cruzi	cysteine peptidase, putative	0.0097	0.1709	0.4587
Onchocerca volvulus		0.0114	0.2268	0.2171
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.1709	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.6714	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.1709	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0097	0.1709	0.4587
Plasmodium vivax	vivapain-2	0.0097	0.1709	0.2688
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.1709	1
Leishmania major	cathepsin L-like protease	0.0097	0.1709	1
Brugia malayi	Papain family cysteine protease containing protein	0.0052	0.0263	0.0391
Trypanosoma cruzi	cysteine peptidase, putative	0.0097	0.1709	0.4587
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0064	0.0653	0.3819
Entamoeba histolytica	cysteine protease, putative	0.0052	0.0263	0.0263
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.1709	0.1709
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0064	0.0653	0.0653
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.1709	0.1709
Entamoeba histolytica	cysteine protease, putative	0.0052	0.0263	0.0263
Onchocerca volvulus		0.0097	0.1709	0.1386
Onchocerca volvulus		0.0097	0.1709	0.1386
Onchocerca volvulus		0.0097	0.1709	0.1386
Onchocerca volvulus		0.0286	0.7837	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.1709	0.1709
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0159	0.3726	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.1709	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.1709	0.1709
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.1709	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0218	0.5645	0.534
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0097	0.1709	0.1709
Trypanosoma cruzi	cysteine proteinase, putative	0.0052	0.0263	0.0705
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0052	0.0263	0.1537
Leishmania major	cathepsin L-like protease	0.0097	0.1709	1
Onchocerca volvulus		0.0097	0.1709	0.1386
Echinococcus granulosus	cathepsin b	0.0159	0.3726	0.7529
Trypanosoma cruzi	cysteine peptidase, putative	0.0097	0.1709	0.4587
Onchocerca volvulus	Cathepsin L homolog	0.0097	0.1709	0.1386
Entamoeba histolytica	cysteine protease, putative	0.0052	0.0263	0.0263
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.1709	0.1709
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.1709	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0097	0.1709	0.1709
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	1	1
Loa Loa (eye worm)	hypothetical protein	0.0159	0.3726	0.555
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0097	0.1709	0.1709
Brugia malayi	Pre-SET motif family protein	0.0251	0.6714	1
Entamoeba histolytica	cysteine protease, putative	0.0052	0.0263	0.0263
Brugia malayi	Papain family cysteine protease containing protein	0.0052	0.0263	0.0391
Entamoeba histolytica	cysteine protease, putative	0.0052	0.0263	0.0263
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.0723	0.0723
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0097	0.1709	0.1709
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0097	0.1709	0.1709
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0097	0.1709	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 9.9763 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	= 15.7279 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	23.7781 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (binding)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 50.1187 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference

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: CHEMBL1417796

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1300994