Detailed information for compound 708664

Basic information

Technical information
  • TDR Targets ID: 708664
  • Name: [3-(cyclohexylcarbamoyl)phenyl] acetate
  • MW: 261.316 | Formula: C15H19NO3
  • H donors: 1 H acceptors: 2 LogP: 2.76 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Oc1cccc(c1)C(=O)NC1CCCCC1
  • InChi: 1S/C15H19NO3/c1-11(17)19-14-9-5-6-12(10-14)15(18)16-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8H2,1H3,(H,16,18)
  • InChiKey: HHIHCHLSRSZKQW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • acetic acid [3-[(cyclohexylamino)-oxomethyl]phenyl] ester
  • acetic acid [3-(cyclohexylcarbamoyl)phenyl] ester
  • [3-(cyclohexylcarbamoyl)phenyl] ethanoate
  • ZINC00249038
  • Oprea1_635709

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1938 0.0399
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1825 0.0189
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.102 0.5172
Loa Loa (eye worm) hypothetical protein 0.0024 0.0267 0.0267
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0267 0.1461
Onchocerca volvulus 0.0057 0.1724 1
Echinococcus multilocularis musashi 0.0057 0.1724 0.1946
Trichomonas vaginalis chromobox protein, putative 0.0068 0.2211 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1938 0.1938
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0267 0.1461
Schistosoma mansoni hypothetical protein 0.018 0.7105 1
Schistosoma mansoni chromobox protein 0.0068 0.2211 0.0905
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1938 0.0399
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.1825 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1938 0.0399
Entamoeba histolytica hypothetical protein 0.0077 0.2563 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0424 0.0424
Brugia malayi chromobox protein homolog 3 0.0038 0.0893 0.0643
Echinococcus granulosus geminin 0.018 0.7105 1
Schistosoma mansoni hypothetical protein 0.0077 0.2563 0.156
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0893 0.2714
Brugia malayi cytoplasmic intermediate filament protein 0.0031 0.0557 0.0299
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0 0.5
Echinococcus granulosus lamin dm0 0.0057 0.1724 0.1946
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1825 1
Brugia malayi intermediate filament protein 0.0057 0.1724 0.1497
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.2211 0.2211
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.2563 0.3202
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1825 1
Echinococcus granulosus chromobox protein 1 0.0068 0.2211 0.2674
Loa Loa (eye worm) hypothetical protein 0.0024 0.0267 0.0267
Loa Loa (eye worm) intermediate filament protein 0.0057 0.1724 0.1724
Brugia malayi Intermediate filament tail domain containing protein 0.0057 0.1724 0.1497
Loa Loa (eye worm) hypothetical protein 0.003 0.053 0.053
Loa Loa (eye worm) hypothetical protein 0.0057 0.1724 0.1724
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0267 0.1461
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.2563 0.3202
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0267 0.1461
Brugia malayi hypothetical protein 0.0077 0.2563 0.2359
Echinococcus multilocularis lamin 0.0057 0.1724 0.1946
Schistosoma mansoni hypothetical protein 0.018 0.7105 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1938 0.1938
Entamoeba histolytica hypothetical protein 0.0077 0.2563 1
Echinococcus multilocularis chromobox protein 1 0.0068 0.2211 0.2674
Loa Loa (eye worm) hypothetical protein 0.0027 0.0378 0.0378
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.2563 0.156
Echinococcus granulosus lamin 0.0057 0.1724 0.1946
Loa Loa (eye worm) RNA binding protein 0.0062 0.1938 0.1938
Trichomonas vaginalis chromobox protein, putative 0.0068 0.2211 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0267 0.1461
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1938 0.1717
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0267 0.1461
Echinococcus multilocularis chromobox protein 1 0.0068 0.2211 0.2674
Schistosoma mansoni chromobox protein 0.0068 0.2211 0.0905
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.1825 0.2098
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0893 0.4296
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0267 0.1461
Trichomonas vaginalis chromobox protein, putative 0.0041 0.102 0.3419
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0267 0.5
Brugia malayi Heterochromatin protein 1 0.0068 0.2211 0.1997
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1938 0.0399
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.1825 1
Brugia malayi TAR-binding protein 0.0062 0.1938 0.1717
Echinococcus granulosus intermediate filament protein 0.0057 0.1724 0.1946
Echinococcus multilocularis lamin dm0 0.0057 0.1724 0.1946
Echinococcus granulosus chromobox protein 1 0.0068 0.2211 0.2674
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0267 0.1461
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0246 1 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1938 0.2267
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0267 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.1825 1
Onchocerca volvulus 0.0057 0.1724 1
Brugia malayi RNA binding protein 0.0062 0.1938 0.1717
Mycobacterium ulcerans hypothetical protein 0.0024 0.0267 0.1461
Entamoeba histolytica hypothetical protein 0.0077 0.2563 1
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.1825 0.5
Echinococcus multilocularis geminin 0.018 0.7105 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.1825 0.2098
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1938 0.0399
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0893 0.2714
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0031 0.0557 0.0557
Loa Loa (eye worm) hypothetical protein 0.0038 0.0893 0.0893
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1825 0.0189
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0267 0.1461
Loa Loa (eye worm) hypothetical protein 0.0024 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0027 0.0378 0.0378
Loa Loa (eye worm) hypothetical protein 0.0056 0.1678 0.1678
Onchocerca volvulus 0.003 0.053 0.1803
Trichomonas vaginalis chromobox protein, putative 0.0041 0.102 0.3419
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0057 0.1724 0.1724
Echinococcus granulosus tar DNA binding protein 0.0062 0.1938 0.2267
Plasmodium falciparum acyl-CoA synthetase 0.0018 0 0.5
Entamoeba histolytica hypothetical protein 0.0077 0.2563 1

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

Bibliographic References

No literature references available for this target.

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