TDR Targets

Basic information

Technical information

TDR Targets ID: 677470
Name: ethyl 2-[(4-chlorobenzoyl)amino]-5-methyl-4-p henylthiophene-3-carboxylate
MW: 399.891 | Formula: C21H18ClNO3S
H donors: 1 H acceptors: 2 LogP: 6.2 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1c(NC(=O)c2ccc(cc2)Cl)sc(c1c1ccccc1)C
InChi: 1S/C21H18ClNO3S/c1-3-26-21(25)18-17(14-7-5-4-6-8-14)13(2)27-20(18)23-19(24)15-9-11-16(22)12-10-15/h4-12H,3H2,1-2H3,(H,23,24)
InChiKey: MORFQTVEKOJDGH-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-[(4-chlorobenzoyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylate
2-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester
2-[(4-chlorobenzoyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester
ethyl 2-[(4-chlorophenyl)carbonylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate
AF-399/40703918
T0513-8433
ZINC01801800

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0176	0.0176
Brugia malayi	Animal haem peroxidase family protein	0.0241	0.3429	0.3429
Loa Loa (eye worm)	MH2 domain-containing protein	0.0127	0.1505	0.1505
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0039	0.0003	1
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0039	0.0003	0.0018
Echinococcus granulosus	excitatory amino acid transporter 3	0.0629	1	1
Echinococcus multilocularis	excitatory amino acid transporter 2	0.0629	1	1
Echinococcus multilocularis	peroxidasin	0.0241	0.3429	0.3429
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0176	0.0176
Echinococcus multilocularis	excitatory amino acid transporter 3	0.0629	1	1
Echinococcus granulosus	peroxidasin	0.0241	0.3429	0.3429
Echinococcus multilocularis	neutral amino acid transporter excitatory amino acid transporter	0.0629	1	1
Brugia malayi	Blistered cuticle protein 3	0.0241	0.3429	0.3429
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0174	0.229	0.229
Loa Loa (eye worm)	hypothetical protein	0.0241	0.3429	0.3429
Loa Loa (eye worm)	animal heme peroxidase	0.0241	0.3429	0.3429
Echinococcus multilocularis	neutral amino acid transporter A	0.0629	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0241	0.3429	0.3429
Schistosoma mansoni	alpha-glucosidase	0.0149	0.1881	0.1881
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0125	0.1471	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0176	0.0176
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0176	0.0176
Loa Loa (eye worm)	excitatory amino acid transporter	0.0629	1	1
Brugia malayi	follicle stimulating hormone receptor	0.0247	0.353	0.353
Echinococcus multilocularis	neutral amino acid transporter excitatory amino acid transporter	0.0279	0.4071	0.4071
Schistosoma mansoni	solute carrier family 1 (glial high affinity glutamate transporter	0.0629	1	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0174	0.229	0.229
Loa Loa (eye worm)	hypothetical protein	0.0241	0.3429	0.3429
Onchocerca volvulus	Excitatory amino acid transporter homolog	0.0629	1	1
Echinococcus granulosus	muscleblind protein	0.0159	0.2046	0.2046
Loa Loa (eye worm)	hypothetical protein	0.0241	0.3429	0.3429
Loa Loa (eye worm)	animal heme peroxidase	0.0241	0.3429	0.3429
Loa Loa (eye worm)	blistered cuticle protein 3	0.0241	0.3429	0.3429
Onchocerca volvulus		0.01	0.1051	0.1051
Echinococcus granulosus	Excitatory amino acid transporter	0.0629	1	1
Schistosoma mansoni	sodium/dicarboxylate symporter-related	0.0279	0.4071	0.4071
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0176	0.0176
Mycobacterium tuberculosis	Probable C4-dicarboxylate-transport transmembrane protein DctA	0.0629	1	1
Echinococcus granulosus	sodium:dicarboxylate symporter	0.0629	1	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0039	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0241	0.3429	0.3429
Onchocerca volvulus	Dual oxidase homolog	0.0241	0.3429	0.3429
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0125	0.1471	0.1471
Echinococcus multilocularis	sodium:dicarboxylate symporter	0.0629	1	1
Mycobacterium leprae	conserved hypothetical protein	0.0038	0	0.5
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0003	1
Loa Loa (eye worm)	hypothetical protein	0.0159	0.2046	0.2046
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0003	1
Schistosoma mansoni	alpha-glucosidase	0.0149	0.1881	0.1881
Schistosoma mansoni	sodium/dicarboxylate symporter-related	0.0279	0.4071	0.4071
Onchocerca volvulus		0.0241	0.3429	0.3429
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0174	0.229	0.229
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0003	1
Treponema pallidum	glutamate transporter	0.0279	0.4071	0.5
Loa Loa (eye worm)	hypothetical protein	0.0241	0.3429	0.3429
Loa Loa (eye worm)	hypothetical protein	0.0241	0.3429	0.3429
Onchocerca volvulus		0.0241	0.3429	0.3429
Onchocerca volvulus		0.0241	0.3429	0.3429
Trypanosoma brucei	glucosidase, putative	0.0039	0.0003	1
Echinococcus multilocularis	muscleblind protein	0.0159	0.2046	0.2046
Echinococcus granulosus	neutral amino acid transporter A	0.0629	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0241	0.3429	0.3429
Brugia malayi	Animal haem peroxidase family protein	0.0241	0.3429	0.3429
Schistosoma mansoni	aldehyde dehydrogenase	0.0125	0.1471	0.1471
Echinococcus multilocularis	neutral amino acid transporter A	0.0629	1	1
Onchocerca volvulus	Peroxidasin homolog	0.0241	0.3429	0.3429
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0039	0.0003	0.0003
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0039	0.0003	0.5
Loa Loa (eye worm)	hypothetical protein	0.0241	0.3429	0.3429
Echinococcus multilocularis	Excitatory amino acid transporter	0.0629	1	1
Echinococcus multilocularis	muscleblind protein 1	0.0159	0.2046	0.2046
Loa Loa (eye worm)	animal heme peroxidase	0.0241	0.3429	0.3429
Brugia malayi	Peroxidasin	0.0241	0.3429	0.3429
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0003	1
Loa Loa (eye worm)	hypothetical protein	0.0241	0.3429	0.3429
Loa Loa (eye worm)	animal heme peroxidase	0.0241	0.3429	0.3429
Echinococcus granulosus	excitatory amino acid transporter 2	0.0629	1	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0003	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0003	1
Schistosoma mansoni	peroxidasin	0.0241	0.3429	0.3429
Treponema pallidum	glutamate/aspartate transporter	0.0279	0.4071	0.5
Loa Loa (eye worm)	hypothetical protein	0.0241	0.3429	0.3429
Echinococcus granulosus	excitatory amino acid transporter 2	0.0629	1	1
Loa Loa (eye worm)	hypothetical protein	0.0241	0.3429	0.3429
Echinococcus multilocularis	excitatory amino acid transporter 2	0.0629	1	1
Mycobacterium leprae	Probable lipase LipE	0.0038	0	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0176	0.0176
Echinococcus granulosus	Excitatory amino acid transporter	0.0629	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0241	0.3429	0.3429
Brugia malayi	MH2 domain containing protein	0.0127	0.1505	0.1505
Loa Loa (eye worm)	hypothetical protein	0.0241	0.3429	0.3429
Schistosoma mansoni	peroxidasin	0.0241	0.3429	0.3429
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0174	0.229	0.229
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0039	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0241	0.3429	0.3429
Chlamydia trachomatis	glutamate symporter	0.0629	1	1
Echinococcus granulosus	neutral alpha glucosidase AB	0.0039	0.0003	0.0003
Leishmania major	alpha glucosidase II subunit, putative	0.0039	0.0003	0.0018
Schistosoma mansoni	alpha glucosidase	0.0039	0.0003	0.0003
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0039	0.0003	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0125	0.1471	0.1471
Onchocerca volvulus	Chorion peroxidase homolog	0.0241	0.3429	0.3429
Loa Loa (eye worm)	hypothetical protein	0.0241	0.3429	0.3429
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0125	0.1471	0.1471
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0247	0.353	0.353
Loa Loa (eye worm)	hypothetical protein	0.0159	0.2046	0.2046
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0125	0.1471	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0003	1
Echinococcus granulosus	neutral amino acid transporter	0.0629	1	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0125	0.1471	1
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0039	0.0003	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0176	0.0176
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0176	0.0176
Echinococcus multilocularis	neutral amino acid transporter A	0.0629	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0176	0.0176
Brugia malayi	Muscleblind-like protein	0.0159	0.2046	0.2046
Wolbachia endosymbiont of Brugia malayi	Na+/H+-dicarboxylate symporter	0.0629	1	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0125	0.1471	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0125	0.1471	1
Brugia malayi	hypothetical protein	0.0241	0.3429	0.3429
Schistosoma mansoni	aldehyde dehydrogenase	0.0125	0.1471	0.1471
Echinococcus multilocularis	sodium:dicarboxylate symporter	0.0279	0.4071	0.4071
Loa Loa (eye worm)	transcription factor SMAD2	0.0127	0.1505	0.1505
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0039	0.0003	0.5
Echinococcus multilocularis	Excitatory amino acid transporter	0.0629	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0038	0	0.5
Onchocerca volvulus	Peroxidasin homolog	0.0241	0.3429	0.3429
Onchocerca volvulus	Peroxidase homolog	0.0241	0.3429	0.3429
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0039	0.0003	1
Echinococcus granulosus	neutral amino acid transporter A	0.0629	1	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0245	0.3501	0.3501
Onchocerca volvulus	Peroxidase homolog	0.0241	0.3429	0.3429
Loa Loa (eye worm)	hypothetical protein	0.0241	0.3429	0.3429
Echinococcus granulosus	lysosomal alpha glucosidase	0.0174	0.229	0.229

Activities

No activities found for this compound.

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.

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External resources for this compound

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 677470