TDR Targets

Basic information

Technical information

TDR Targets ID: 1274784
Name: methyl 3-[(2-methylpiperidine-1-carbothioyl)a mino]thiophene-2-carboxylate
MW: 298.424 | Formula: C13H18N2O2S2
H donors: 0 H acceptors: 1 LogP: 3.29 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1sccc1N=C(N1CCCCC1C)S
InChi: 1S/C13H18N2O2S2/c1-9-5-3-4-7-15(9)13(18)14-10-6-8-19-11(10)12(16)17-2/h6,8-9H,3-5,7H2,1-2H3,(H,14,18)
InChiKey: RCKITQMOQFLRBI-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

3-[[(2-methyl-1-piperidinyl)-thioxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
3-[(2-methylpiperidine-1-carbothioyl)amino]thiophene-2-carboxylic acid methyl ester
methyl 3-[(2-methylpiperidin-1-yl)carbothioylamino]thiophene-2-carboxylate
MLS000519960
SMR000130375

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	cathepsin b	0.0146	0.4708	1
Brugia malayi	Papain family cysteine protease containing protein	0.0059	0.1407	0.162
Echinococcus granulosus	cathepsin b	0.0146	0.4708	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0826	0.0672
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0038	0.0608	0.1292
Echinococcus granulosus	cathepsin L	0.0038	0.0608	0.0267
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0059	0.1407	0.0868
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0146	0.4708	1
Entamoeba histolytica	cysteine proteinase, putative	0.0038	0.0608	0.0222
Brugia malayi	Papain family cysteine protease containing protein	0.0038	0.0608	0.07
Brugia malayi	cathepsin L-like precursor	0.0037	0.059	0.0679
Toxoplasma gondii	cathepsin CPL	0.0059	0.1407	0.611
Leishmania major	cathepsin L-like protease	0.0059	0.1407	0.1486
Loa Loa (eye worm)	ctsf protein	0.0059	0.1407	0.162
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0739	0.0851
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.1956	0.3387
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.1407	0.0868
Entamoeba histolytica	hypothetical protein	0.0043	0.0826	0.2884
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.1407	0.0868
Entamoeba histolytica	cysteine proteinase 2	0.0038	0.0608	0.0222
Echinococcus multilocularis	cathepsin b	0.0146	0.4708	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0608	0.0019
Schistosoma mansoni	cathepsin F (C01 family)	0.0059	0.1407	0.2989
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0038	0.0608	0.1292
Brugia malayi	Pre-SET motif family protein	0.0036	0.0546	0.0629
Trypanosoma cruzi	cruzipain precursor, putative	0.0059	0.1407	0.2989
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.1407	0.0868
Brugia malayi	cathepsin B-like cysteine proteinase	0.0146	0.4708	0.5419
Leishmania major	cathepsin L-like protease	0.0059	0.1407	0.1486
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0059	0.1407	0.207
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0546	0.116
Schistosoma mansoni	hypothetical protein	0.0041	0.0739	0.157
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1407	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.1407	0.0868
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1407	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1407	0.162
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.1956	1
Onchocerca volvulus		0.0059	0.1407	0.0911
Entamoeba histolytica	hypothetical protein	0.0043	0.0826	0.2884
Loa Loa (eye worm)	hypothetical protein	0.0037	0.059	0.0679
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0059	0.1407	0.0868
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0059	0.1407	0.0868
Echinococcus granulosus	cathepsin l1	0.0059	0.1407	0.2164
Onchocerca volvulus	Cathepsin L homolog	0.0059	0.1407	0.0911
Entamoeba histolytica	cysteine protease, putative	0.0038	0.0608	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0546	0.0629
Echinococcus multilocularis	cathepsin L cysteine protease	0.0059	0.1407	0.207
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1407	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0608	0.0019
Entamoeba histolytica	cysteine protease, putative	0.0038	0.0608	0.0222
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0826	0.0783
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1407	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0826	0.2884
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0146	0.4708	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1407	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.1407	0.0868
Echinococcus multilocularis	cysteine protease	0.0059	0.1407	0.207
Brugia malayi	hypothetical protein	0.0043	0.0826	0.0951
Entamoeba histolytica	cysteine protease, putative	0.0038	0.0608	0.0222
Entamoeba histolytica	cysteine proteinase, putative	0.0038	0.0608	0.0222
Plasmodium vivax	unspecified product	0.0038	0.0608	0.4322
Onchocerca volvulus		0.0059	0.1407	0.0911
Leishmania major	cathepsin L-like protease	0.0059	0.1407	0.1486
Entamoeba histolytica	cysteine protease, putative	0.0038	0.0608	0.0222
Entamoeba histolytica	cysteine proteinase, putative	0.0038	0.0608	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0037	0.059	0.0679
Loa Loa (eye worm)	hypothetical protein	0.0146	0.4708	0.5419
Trypanosoma cruzi	cysteine peptidase, putative	0.0059	0.1407	0.2989
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0059	0.1407	0.162
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.1956	0.4154
Schistosoma mansoni	cathepsin F (C01 family)	0.0037	0.059	0.1253
Plasmodium vivax	SET domain protein, putative	0.0036	0.0546	0.388
Onchocerca volvulus		0.0059	0.1407	0.0911
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0059	0.1407	0.0868
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0146	0.4708	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0739	0.0851
Entamoeba histolytica	cysteine protease, putative	0.0038	0.0608	0.0222
Leishmania major	cathepsin L-like protease	0.0059	0.1407	0.1486
Schistosoma mansoni	cathepsin F (C01 family)	0.0059	0.1407	0.2989
Onchocerca volvulus	Cathepsin L homolog	0.0059	0.1407	0.0911
Entamoeba histolytica	cysteine proteinase 1, putative	0.0038	0.0608	0.0222
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.1407	0.0868
Brugia malayi	Cathepsin L-like precursor	0.0059	0.1407	0.162
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0059	0.1407	0.162
Leishmania major	cathepsin L-like protease	0.0059	0.1407	0.1486
Echinococcus granulosus	cathepsin b	0.0146	0.4708	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0059	0.1407	0.2989
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0056	0.1312	0.0767
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1459	0.168
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1407	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0059	0.1407	0.0868
Echinococcus granulosus	cathepsin L cysteine protease	0.0038	0.0608	0.0267
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0059	0.1407	1
Onchocerca volvulus		0.0059	0.1407	0.0911
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.1956	0.3466
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0038	0.0608	0.1292
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.1956	0.4154
Giardia lamblia	Cathepsin B precursor	0.0056	0.1312	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.1407	0.0868
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0038	0.0608	0.1292
Brugia malayi	Pre-SET motif family protein	0.0251	0.8687	1
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0826	0.1754
Schistosoma mansoni	hypothetical protein	0.0043	0.0826	0.1754
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0146	0.4708	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1459	0.168
Onchocerca volvulus	Cathepsin F homolog	0.0059	0.1407	0.0911
Trypanosoma cruzi	cysteine proteinase, putative	0.0038	0.0608	0.1292
Brugia malayi	Cathepsin L-like precursor	0.0059	0.1407	0.162
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.1407	0.0868
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0056	0.1312	0.2786
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0037	0.059	0.0679
Leishmania major	cysteine peptidase A (CPA)	0.0059	0.1407	0.1486
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1956	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1407	1
Entamoeba histolytica	cysteine protease, putative	0.0038	0.0608	0.0222
Entamoeba histolytica	cysteine protease, putative	0.0038	0.0608	0.0222
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.1956	1
Brugia malayi	Papain family cysteine protease containing protein	0.0038	0.0608	0.07
Loa Loa (eye worm)	cathepsin B	0.0056	0.1312	0.151
Plasmodium vivax	vivapain-3	0.0038	0.0608	0.4322
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0059	0.1407	0.0868
Entamoeba histolytica	cysteine protease, putative	0.0038	0.0608	0.0222
Plasmodium vivax	vivapain-2	0.0059	0.1407	1
Brugia malayi	Cathepsin L-like precursor	0.0037	0.059	0.0679
Trichomonas vaginalis	set domain proteins, putative	0.0286	1	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.1956	0.5
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.8687	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.1407	0.0868
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.1407	0.0868
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1407	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0059	0.1407	1
Echinococcus multilocularis	cathepsin L	0.0038	0.0608	0.015
Loa Loa (eye worm)	hypothetical protein	0.006	0.1459	0.168
Entamoeba histolytica	cysteine protease, putative	0.0038	0.0608	0.0222
Echinococcus multilocularis	cathepsin L cysteine protease	0.0059	0.1407	0.207
Entamoeba histolytica	cysteine protease, putative	0.0038	0.0608	0.0222
Brugia malayi	Cathepsin L-like precursor	0.0059	0.1407	0.162
Onchocerca volvulus		0.0059	0.1407	0.0911
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.1407	0.0868
Echinococcus granulosus	cathepsin l1	0.0037	0.059	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0037	0.059	0.0679
Giardia lamblia	Cathepsin B precursor	0.0056	0.1312	0.5
Leishmania major	cathepsin L-like protease	0.0059	0.1407	0.1486
Trypanosoma cruzi	cysteine peptidase, putative	0.0038	0.0608	0.1292
Trypanosoma cruzi	cysteine proteinase, putative	0.0038	0.0608	0.1292
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0546	0.116
Echinococcus granulosus	cysteine protease	0.0038	0.0608	0.0267
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1956	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1407	1
Loa Loa (eye worm)	fibroinase	0.0059	0.1407	0.162
Giardia lamblia	Cathepsin B precursor	0.0056	0.1312	0.5
Leishmania major	cathepsin L-like protease	0.0059	0.1407	0.1486
Echinococcus multilocularis	cysteine protease	0.0059	0.1407	0.207
Entamoeba histolytica	cysteine protease, putative	0.0038	0.0608	0.0222
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0059	0.1407	0.0868
Plasmodium vivax	vivapain-2	0.0059	0.1407	1
Onchocerca volvulus		0.0059	0.1407	0.0911
Brugia malayi	Cathepsin L-like precursor	0.0059	0.1407	0.162
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0059	0.1407	0.207
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0059	0.1407	0.0868
Brugia malayi	Cathepsin L-like precursor	0.0037	0.059	0.0679
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0059	0.1407	0.0868
Trypanosoma cruzi	cysteine peptidase, putative	0.0059	0.1407	0.2989
Entamoeba histolytica	cysteine protease, putative	0.0059	0.1407	1
Plasmodium vivax	vivapain-1	0.0038	0.0608	0.4322
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0059	0.1407	0.0868
Toxoplasma gondii	cathepsin B	0.0056	0.1312	0.5431
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1459	0.168
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.1407	0.0868
Brugia malayi	Cathepsin L-like precursor	0.0059	0.1407	0.162
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.1407	0.0868
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0056	0.1312	0.8803
Leishmania major	cathepsin L-like protease	0.0059	0.1407	0.1486
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0059	0.1407	0.2164
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.1407	0.0868
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0146	0.4708	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0059	0.1407	0.2989
Entamoeba histolytica	cysteine proteinase, putative	0.0059	0.1407	1
Loa Loa (eye worm)	cysteine protease	0.0059	0.1407	0.162
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1407	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0059	0.1407	0.0868
Entamoeba histolytica	cysteine protease, putative	0.0038	0.0608	0.0222
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0546	0.0119
Onchocerca volvulus		0.0059	0.1407	0.0911
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0059	0.1407	1
Entamoeba histolytica	cysteine proteinase, putative	0.0059	0.1407	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0037	0.059	0.1253
Entamoeba histolytica	hypothetical protein	0.0043	0.0826	0.2884
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0056	0.1312	0.2786
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1407	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0059	0.1407	0.2164
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0546	0.116
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1956	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0038	0.0608	0.0222
Brugia malayi	Cathepsin L-like precursor	0.0059	0.1407	0.162
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0546	0.116
Entamoeba histolytica	cysteine protease, putative	0.0038	0.0608	0.0222
Onchocerca volvulus		0.0037	0.059	0.0047
Trypanosoma cruzi	cysteine protease, putative	0.0038	0.0608	0.1292

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.1582 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	1.5849 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)	12.5893 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1379820

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1274784