TDR Targets

Basic information

Technical information

TDR Targets ID: 677773
Name: methyl 2-(cyclohexanecarbonylamino)-4,5-dimet hylthiophene-3-carboxylate
MW: 295.397 | Formula: C15H21NO3S
H donors: 1 H acceptors: 2 LogP: 4.36 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1c(NC(=O)C2CCCCC2)sc(c1C)C
InChi: 1S/C15H21NO3S/c1-9-10(2)20-14(12(9)15(18)19-3)16-13(17)11-7-5-4-6-8-11/h11H,4-8H2,1-3H3,(H,16,17)
InChiKey: BFSIOOWUTZHXGI-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 2-(cyclohexanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate
2-[(cyclohexyl-oxomethyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester
2-(cyclohexanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester
methyl 2-(cyclohexylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate
Oprea1_758523
A2670/0113713
AK-968/12117398
ZINC00090860

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
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0082	1	1
Loa Loa (eye worm)	carbonic anhydrase 3	0.0056	0.5731	0.5731
Echinococcus granulosus	peptidase Clp S14 family	0.0054	0.5464	0.5464
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0054	0.5464	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0362	0.0362
Schistosoma mansoni	hypothetical protein	0.002	0.0063	0.0063
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0082	1	1
Plasmodium falciparum	carbonic anhydrase	0.0056	0.5731	0.5731
Schistosoma mansoni	bromodomain containing protein	0.0062	0.6738	0.6738
Schistosoma mansoni	carbonic anhydrase-related	0.0056	0.5731	0.5731
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0362	0.0362
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.2101	0.2101
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.6749	0.6749
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.4539	0.4539
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.6749	0.6749
Schistosoma mansoni	hypothetical protein	0.0033	0.2101	0.2101
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.6178	0.6178
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0056	0.5731	0.5731
Brugia malayi	Bromodomain containing protein	0.0073	0.8573	0.8573
Schistosoma mansoni	carbonic anhydrase	0.0056	0.5731	0.5731
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0056	0.5731	0.5731
Loa Loa (eye worm)	hypothetical protein	0.0082	1	1
Brugia malayi	PHD-finger family protein	0.0024	0.0733	0.0733
Loa Loa (eye worm)	hypothetical protein	0.0048	0.4539	0.4539
Leishmania major	carbonic anhydrase-like protein	0.0056	0.5731	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.6749	0.6749
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0082	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.6749	0.6749
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0082	1	0.5
Loa Loa (eye worm)	RNA binding protein	0.0062	0.6749	0.6749
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0056	0.5731	0.5731
Toxoplasma gondii	hypothetical protein	0.0056	0.5731	0.5731
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0056	0.5731	0.5731
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0063	0.0063
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0056	0.5731	0.5731
Echinococcus granulosus	carbonic anhydrase	0.0056	0.5731	0.5731
Echinococcus granulosus	carbonic anhydrase II	0.0056	0.5731	0.5731
Brugia malayi	TAR-binding protein	0.0062	0.6749	0.6749
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0082	1	0.5
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0054	0.5464	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.5731	0.5731
Loa Loa (eye worm)	hypothetical protein	0.0038	0.2839	0.2839
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0056	0.5731	0.5731
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0054	0.5464	0.4744
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0082	1	1
Echinococcus multilocularis	carbonic anhydrase	0.0056	0.5731	0.5731
Loa Loa (eye worm)	hypothetical protein	0.004	0.321	0.321
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.2458	0.2458
Echinococcus multilocularis	carbonic anhydrase II	0.0056	0.5731	0.5731
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0082	1	1
Echinococcus multilocularis	carbonic anhydrase	0.0056	0.5731	0.5731
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0	0.5
Echinococcus multilocularis	carbonic anhydrase	0.0056	0.5731	0.5731
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0082	1	1
Schistosoma mansoni	hypothetical protein	0.0056	0.5731	0.5731
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0056	0.5731	0.5731
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.4539	0.4539
Loa Loa (eye worm)	hypothetical protein	0.0033	0.2101	0.2101
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.6749	0.6749
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0054	0.5464	0.5464
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.6749	0.6749
Schistosoma mansoni	peptidase Clp (S14 family)	0.0082	1	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0056	0.5731	0.5731
Trypanosoma brucei	carbonic anhydrase-like protein	0.0056	0.5731	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.7903	0.7903
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0056	0.5731	1
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0056	0.5731	0.5731
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0028	0.137	0.137
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0028	0.137	0.137
Trichomonas vaginalis	ap endonuclease, putative	0.002	0	0.5
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0028	0.137	0.137
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0056	0.5731	1
Echinococcus granulosus	carbonic anhydrase	0.0056	0.5731	0.5731
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.4539	0.4539
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.6749	0.6749
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0082	1	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0082	1	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0082	1	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0056	0.5731	0.5731
Schistosoma mansoni	carbonic anhydrase-related	0.0056	0.5731	0.5731
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.6178	0.6178
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0056	0.5731	0.5731
Trichomonas vaginalis	ap endonuclease, putative	0.002	0	0.5
Schistosoma mansoni	carbonic anhydrase-related	0.0056	0.5731	0.5731
Loa Loa (eye worm)	hypothetical protein	0.0042	0.3509	0.3509
Loa Loa (eye worm)	hypothetical protein	0.0056	0.5731	0.5731
Echinococcus granulosus	carbonic anhydrase	0.0056	0.5731	0.5731
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0082	1	1
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.6749	0.6749
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0362	0.0362
Brugia malayi	Bromodomain containing protein	0.0037	0.2828	0.2828
Echinococcus granulosus	tar DNA binding protein	0.0062	0.6749	0.6749
Toxoplasma gondii	hypothetical protein	0.0028	0.137	0.137
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.6749	0.6749
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0056	0.5731	0.5731
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0082	1	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.2458	0.2458
Brugia malayi	RNA binding protein	0.0062	0.6749	0.6749

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.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 677773