TDR Targets

Basic information

Technical information

TDR Targets ID: 1257172
Name: methyl 3-[(cyclohexyl-methylcarbamothioyl)ami no]thiophene-2-carboxylate
MW: 312.451 | Formula: C14H20N2O2S2
H donors: 0 H acceptors: 1 LogP: 3.82 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1sccc1N=C(N(C1CCCCC1)C)S
InChi: 1S/C14H20N2O2S2/c1-16(10-6-4-3-5-7-10)14(19)15-11-8-9-20-12(11)13(17)18-2/h8-10H,3-7H2,1-2H3,(H,15,19)
InChiKey: ICVATKSRSADSOO-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

methyl 3-[(cyclohexyl-methyl-carbamothioyl)amino]thiophene-2-carboxylate
3-[[(cyclohexyl-methylamino)-thioxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
3-[(cyclohexyl-methyl-thiocarbamoyl)amino]thiophene-2-carboxylic acid methyl ester
MLS000730121
SMR000308397
methyl 3-({[cyclohexyl(methyl)amino]carbonothioyl}amino)thiophene-2-carboxylate

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucosidase, alpha	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Onchocerca volvulus		Get druggable targets OG5_127055	All targets in OG5_127055
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
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	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	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 japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Candida albicans	Mitochondrial 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
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Brugia malayi	Glycosyl hydrolases family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
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
Toxoplasma gondii	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, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	hypothetical protein	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
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	Lysosomal alpha-glucosidase precursor, putative	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	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
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	cysteine protease, putative	0.0919	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0919	1	1
Onchocerca volvulus		0.0919	1	1
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0187	0.164	0.164
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0187	0.164	0.164
Loa Loa (eye worm)	hypothetical protein	0.0187	0.164	0.164
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0187	0.164	0.164
Entamoeba histolytica	cysteine protease, putative	0.0187	0.164	0.164
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0297	0.289	0.289
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0187	0.164	0.164
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0187	0.164	0.164
Echinococcus granulosus	lysosomal alpha glucosidase	0.0197	0.1749	0.1749
Schistosoma mansoni	cathepsin s	0.0297	0.289	0.289
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0187	0.164	0.164
Leishmania major	cathepsin L-like protease	0.0919	1	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0919	1	1
Brugia malayi	TAR-binding protein	0.0076	0.0375	0.0375
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0484	0.5029	0.5029
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0622	0.6611	0.6611
Echinococcus granulosus	cathepsin L	0.0484	0.5029	0.5029
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0187	0.164	0.164
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0167	0.0167
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0919	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0919	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0919	1	1
Brugia malayi	Cathepsin L-like precursor	0.0622	0.6611	0.6611
Trypanosoma cruzi	cysteine proteinase, putative	0.0484	0.5029	0.5029
Entamoeba histolytica	cysteine proteinase 1, putative	0.0484	0.5029	0.5029
Echinococcus multilocularis	cathepsin L	0.0187	0.164	0.164
Plasmodium vivax	vivapain-2	0.0919	1	1
Onchocerca volvulus		0.0187	0.164	0.1498
Entamoeba histolytica	cysteine proteinase, putative	0.0484	0.5029	0.5029
Schistosoma mansoni	alpha-glucosidase	0.0169	0.1436	0.1436
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0403	0.411	0.411
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0375	0.0375
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0187	0.164	0.164
Trypanosoma cruzi	cruzipain precursor, putative	0.0919	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0919	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0622	0.6611	0.6611
Entamoeba histolytica	cysteine protease, putative	0.0484	0.5029	0.5029
Trypanosoma cruzi	cysteine peptidase, putative	0.0919	1	1
Leishmania major	cysteine peptidase A (CPA)	0.0919	1	1
Brugia malayi	fibroinase precursor	0.0187	0.164	0.164
Brugia malayi	Cathepsin L-like precursor	0.0919	1	1
Entamoeba histolytica	cysteine protease, putative	0.0484	0.5029	0.5029
Brugia malayi	cathepsin B-like cysteine proteinase	0.0886	0.9625	0.9625
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0919	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0919	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0484	0.5029	0.5029
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0189	0.0189
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0919	1	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0339	0.0339
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0187	0.164	0.164
Echinococcus multilocularis	cathepsin b	0.0886	0.9625	0.9625
Leishmania major	cathepsin L-like protease	0.0919	1	1
Onchocerca volvulus		0.0919	1	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0187	0.164	0.164
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0339	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0339	0.5
Echinococcus multilocularis	cathepsin L	0.0484	0.5029	0.5029
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0919	1	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.1749	0.1749
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0187	0.164	0.164
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0197	0.1749	0.1749
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0187	0.164	0.164
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0375	0.0375
Schistosoma mansoni	alpha-glucosidase	0.0169	0.1436	0.1436
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.2764	0.2764
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0189	0.0189
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0187	0.164	0.164
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0919	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0919	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0886	0.9625	0.9625
Loa Loa (eye worm)	hypothetical protein	0.0187	0.164	0.164
Echinococcus granulosus	cathepsin L	0.0187	0.164	0.164
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0919	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0187	0.164	0.164
Entamoeba histolytica	cysteine proteinase, putative	0.0484	0.5029	0.5029
Entamoeba histolytica	cysteine protease, putative	0.0484	0.5029	0.5029
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0187	0.164	0.164
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0919	1	1
Loa Loa (eye worm)	ctsf protein	0.0919	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0187	0.164	0.164
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.9024	0.9024
Leishmania major	cathepsin L-like protease	0.0919	1	1
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.9024	0.9024
Giardia lamblia	Cathepsin B precursor	0.0403	0.411	1
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0375	0.0375
Brugia malayi	Cathepsin L-like precursor	0.0297	0.289	0.289
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.1749	0.1749
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0297	0.289	0.289
Plasmodium vivax	unspecified product	0.0297	0.289	0.1496
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0403	0.411	0.411
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0919	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0919	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0919	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0919	1	1
Loa Loa (eye worm)	hypothetical protein	0.0297	0.289	0.289
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0167	0.0167
Trypanosoma cruzi	cysteine protease, putative	0.0484	0.5029	0.5029
Onchocerca volvulus		0.0919	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0187	0.164	0.164
Brugia malayi	Papain family cysteine protease containing protein	0.0187	0.164	0.164
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0187	0.164	0.164
Brugia malayi	cathepsin F-like cysteine proteinase	0.0297	0.289	0.289
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0919	1	1
Brugia malayi	cathepsin L-like precursor	0.0622	0.6611	0.6611
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0403	0.411	0.411
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0187	0.164	0.164
Entamoeba histolytica	cysteine protease, putative	0.0187	0.164	0.164
Toxoplasma gondii	cathepsin CPC2	0.0187	0.164	0.164
Echinococcus granulosus	cathepsin b	0.0886	0.9625	0.9625
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0187	0.164	0.164
Onchocerca volvulus	Cathepsin F homolog	0.0919	1	1
Onchocerca volvulus		0.0919	1	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0484	0.5029	0.5029
Entamoeba histolytica	cysteine protease, putative	0.0484	0.5029	0.5029
Onchocerca volvulus	Cathepsin L homolog	0.0187	0.164	0.1498
Trypanosoma cruzi	cysteine peptidase, putative	0.0297	0.289	0.289
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0919	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0339	0.5
Trypanosoma cruzi	cruzipain precursor, putative	0.0297	0.289	0.289
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0187	0.164	0.164
Trypanosoma cruzi	cysteine peptidase, putative	0.0919	1	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0622	0.6611	0.6611
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0339	0.0339
Entamoeba histolytica	cysteine protease, putative	0.0484	0.5029	0.5029
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0886	0.9625	0.9625
Brugia malayi	Papain family cysteine protease containing protein	0.0484	0.5029	0.5029
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0919	1	1
Brugia malayi	Cathepsin L-like precursor	0.0919	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0919	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0919	1	1
Brugia malayi	RNA binding protein	0.0076	0.0375	0.0375
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0919	1	1
Entamoeba histolytica	cysteine proteinase 2	0.0484	0.5029	0.5029
Onchocerca volvulus		0.0919	1	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0339	0.0339
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0919	1	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0403	0.411	0.411
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0919	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0375	0.0375
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0622	0.6611	0.6611
Toxoplasma gondii	cathepsin B	0.0403	0.411	0.411
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0919	1	1
Loa Loa (eye worm)	hypothetical protein	0.0919	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0919	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0919	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0919	1	1
Brugia malayi	hypothetical protein	0.0286	0.2764	0.2764
Entamoeba histolytica	cysteine protease, putative	0.0187	0.164	0.164
Loa Loa (eye worm)	hypothetical protein	0.0187	0.164	0.164
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0339	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0189	0.0189
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.2764	0.2764
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0484	0.5029	0.5029
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0339	0.0339
Entamoeba histolytica	cysteine protease, putative	0.0484	0.5029	0.5029
Plasmodium vivax	vivapain-3	0.0484	0.5029	0.4054
Echinococcus multilocularis	cathepsin L cysteine protease	0.0919	1	1
Entamoeba histolytica	cysteine protease, putative	0.0484	0.5029	0.5029
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0919	1	1
Entamoeba histolytica	cysteine protease, putative	0.0187	0.164	0.164
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0187	0.164	0.164
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0197	0.1749	0.1749
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0622	0.6611	0.6611
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0187	0.164	0.164
Brugia malayi	cathepsin F-like cysteine proteinase	0.0187	0.164	0.164
Loa Loa (eye worm)	cathepsin B	0.0403	0.411	0.411
Schistosoma mansoni	cathepsin B (C01 family)	0.0187	0.164	0.164
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0375	0.0375
Plasmodium vivax	vivapain-2	0.0919	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0919	1	1
Echinococcus multilocularis	cathepsin b	0.0886	0.9625	0.9625
Entamoeba histolytica	hypothetical protein	0.0187	0.164	0.164
Loa Loa (eye worm)	hypothetical protein	0.006	0.0189	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0622	0.6611	0.6611
Loa Loa (eye worm)	hypothetical protein	0.0622	0.6611	0.6611
Onchocerca volvulus	Cathepsin L homolog	0.0919	1	1
Onchocerca volvulus		0.0919	1	1
Leishmania major	cathepsin L-like protease	0.0919	1	1
Giardia lamblia	Cathepsin B precursor	0.0403	0.411	1
Brugia malayi	Cathepsin L-like precursor	0.0919	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0919	1	1
Loa Loa (eye worm)	hypothetical protein	0.0187	0.164	0.164
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0375	0.0375
Loa Loa (eye worm)	hypothetical protein	0.0622	0.6611	0.6611
Toxoplasma gondii	cathepsin CPL	0.0919	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0484	0.5029	0.5029
Entamoeba histolytica	cysteine protease, putative	0.0484	0.5029	0.5029
Leishmania major	cathepsin L-like protease	0.0919	1	1
Echinococcus granulosus	cathepsin b	0.0886	0.9625	0.9625
Entamoeba histolytica	cysteine protease, putative	0.0187	0.164	0.164
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0919	1	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0187	0.164	0.164
Entamoeba histolytica	cysteine proteinase, putative	0.0622	0.6611	0.6611
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0886	0.9625	0.9625
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0919	1	1
Loa Loa (eye worm)	hypothetical protein	0.0187	0.164	0.164
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0919	1	1
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.9024	0.9024
Entamoeba histolytica	cysteine proteinase, putative	0.0484	0.5029	0.5029
Loa Loa (eye worm)	hypothetical protein	0.0297	0.289	0.289
Schistosoma mansoni	cathepsin S (C01 family)	0.0187	0.164	0.164
Entamoeba histolytica	cysteine protease, putative	0.0484	0.5029	0.5029
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0919	1	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0339	0.0339
Echinococcus multilocularis	cysteine protease	0.0919	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0484	0.5029	0.5029
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0375	0.0375
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0484	0.5029	0.5029
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0187	0.164	0.164
Plasmodium vivax	unspecified product	0.0484	0.5029	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0919	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0187	0.164	0.164
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0919	1	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0187	0.164	0.164
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0375	0.0375
Echinococcus granulosus	cysteine protease	0.0484	0.5029	0.5029
Trypanosoma cruzi	cysteine peptidase, putative	0.0484	0.5029	0.5029
Loa Loa (eye worm)	hypothetical protein	0.0297	0.289	0.289
Brugia malayi	cathepsin L precursor	0.0187	0.164	0.164
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0187	0.164	0.164
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0919	1	1
Loa Loa (eye worm)	cysteine protease	0.0919	1	1
Leishmania major	cathepsin L-like protease	0.0919	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0886	0.9625	0.9625
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0919	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0187	0.164	0.164
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0919	1	1
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0187	0.164	0.164
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0187	0.164	0.164
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0187	0.164	0.164
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0919	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0919	1	1
Echinococcus granulosus	cathepsin l1	0.0919	1	1
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0187	0.164	0.164
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0484	0.5029	0.5029
Schistosoma mansoni	cathepsin C	0.0187	0.164	0.164
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0375	0.0375
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0403	0.411	0.411
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0919	1	1
Entamoeba histolytica	cysteine protease, putative	0.0484	0.5029	0.5029
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0187	0.164	0.164
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0187	0.164	0.164
Echinococcus granulosus	cathepsin l1	0.0622	0.6611	0.6611
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0375	0.0375
Toxoplasma gondii	cathepsin CPC1	0.0187	0.164	0.164
Schistosoma mansoni	hypothetical protein	0.0058	0.0167	0.0167
Schistosoma mansoni	cathepsin F (C01 family)	0.0919	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0375	0.0375
Entamoeba histolytica	cysteine protease, putative	0.0484	0.5029	0.5029
Brugia malayi	Papain family cysteine protease containing protein	0.0187	0.164	0.164
Entamoeba histolytica	cysteine protease, putative	0.0187	0.164	0.164
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0919	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0919	1	1
Loa Loa (eye worm)	hypothetical protein	0.0286	0.2764	0.2764
Brugia malayi	Cathepsin L-like precursor	0.0622	0.6611	0.6611
Brugia malayi	Papain family cysteine protease containing protein	0.0484	0.5029	0.5029
Loa Loa (eye worm)	fibroinase	0.0919	1	1
Leishmania major	cathepsin L-like protease	0.0919	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0919	1	1
Loa Loa (eye worm)	hypothetical protein	0.0886	0.9625	0.9625
Echinococcus multilocularis	cysteine protease	0.0919	1	1
Giardia lamblia	Cathepsin B precursor	0.0403	0.411	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0919	1	1
Plasmodium vivax	vivapain-1	0.0484	0.5029	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0484	0.5029	0.5029
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0187	0.164	0.164
Echinococcus multilocularis	cathepsin L cysteine protease	0.0919	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0919	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0919	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0187	0.164	0.164
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0484	0.5029	0.5029
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0187	0.164	0.164
Brugia malayi	cathepsin L-like cysteine proteinase	0.0187	0.164	0.164
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0187	0.164	0.164
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0484	0.5029	0.5029
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0484	0.5029	0.4054
Leishmania major	cathepsin L-like protease	0.0919	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0484	0.5029	0.5029
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0187	0.164	0.164
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0919	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0919	1	1
Loa Loa (eye worm)	hypothetical protein	0.0187	0.164	0.164
Brugia malayi	Cathepsin L-like precursor	0.0919	1	1
Entamoeba histolytica	cysteine protease, putative	0.0484	0.5029	0.5029
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0886	0.9625	0.9625
Onchocerca volvulus		0.0622	0.6611	0.6553
Onchocerca volvulus		0.0114	0.0801	0.0646
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0339	0.0339
Onchocerca volvulus		0.0919	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.1778 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]	ChEMBL.	No reference
Potency (functional)	= 0.1778 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	= 0.3548 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)	= 0.8913 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.0119 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	9.285 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)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	14.7157 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)	19.9526 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 44.6684 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)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	79.4328 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

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: CHEMBL1340116

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1257172