Detailed information for compound 1027173

Basic information

Technical information
  • TDR Targets ID: 1027173
  • Name: 2-(cyclohexylamino)-1-(3,4-dihydroxyphenyl)et hanone
  • MW: 249.306 | Formula: C14H19NO3
  • H donors: 3 H acceptors: 3 LogP: 2.31 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(c(c1)O)O)CNC1CCCCC1
  • InChi: 1S/C14H19NO3/c16-12-7-6-10(8-13(12)17)14(18)9-15-11-4-2-1-3-5-11/h6-8,11,15-17H,1-5,9H2
  • InChiKey: ITQFZQPBSLIEMU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • CBDivE_016315
  • EU-0033687
  • STOCK3S-48865

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 transcription factor LCR-F1 0.0039 0.7543 0.7482
Mycobacterium ulcerans hypothetical protein 0.0026 0.4457 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.7543 0.7482
Loa Loa (eye worm) hypothetical protein 0.0026 0.4457 0.4318
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.4457 1
Brugia malayi AMP-binding enzyme family protein 0.0026 0.4457 0.4318
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.2706 0.6071
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.4457 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.2706 0.6071
Brugia malayi AMP-binding enzyme family protein 0.0026 0.4457 0.4318
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.4457 0.5772
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0008 0.0243 0.0546
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.4457 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 1 1
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0008 0.0243 0.5
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0243 0.0546
Onchocerca volvulus 0.0026 0.4457 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.4457 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.2949 0.6421
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.4457 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.2706 0.6071
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 1 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0008 0.0243 0.0546
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.4457 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.2949 0.5
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.4457 1
Brugia malayi hypothetical protein 0.0039 0.7543 0.7482
Entamoeba histolytica hypothetical protein 0.0039 0.7543 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.4457 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.2949 0.2773
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0243 0.0546
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.4457 0.5772
Schistosoma mansoni hypothetical protein 0.0039 0.7543 0.7482
Loa Loa (eye worm) hypothetical protein 0.0019 0.2949 0.2773
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.2706 0.6071
Loa Loa (eye worm) hypothetical protein 0.0019 0.2949 0.2773
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0008 0.0243 0.0546
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.2949 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.4457 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.4457 0.4318
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0008 0.0243 0.0546
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.4457 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.7543 0.7482
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.2949 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.4457 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0.0243 0.5
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0243 0.0546
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0.0243 0.5
Brugia malayi AMP-binding enzyme family protein 0.0026 0.4457 0.4318
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0008 0.0243 0.5
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0008 0.0243 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.4457 0.4318
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.4457 0.5772
Toxoplasma gondii propionate-CoA ligase 0.0008 0.0243 0.5
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0008 0.0243 0.0546
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.4457 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0008 0.0243 0.5
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0008 0.0243 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 1 1
Entamoeba histolytica hypothetical protein 0.0039 0.7543 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.2949 0.6617
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0008 0.0243 0.5
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0008 0.0243 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.2949 0.2773
Entamoeba histolytica hypothetical protein 0.0039 0.7543 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.4457 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.4457 1
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0008 0.0243 0.5
Entamoeba histolytica hypothetical protein 0.0039 0.7543 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0008 0.0243 0.0546
Loa Loa (eye worm) hypothetical protein 0.0019 0.2949 0.2773
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0243 0.0546
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0008 0.0243 0.0546

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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