Detailed information for compound 277997

Basic information

Technical information
  • TDR Targets ID: 277997
  • Name: N-(2-cyclohexyl-2-phenylethyl)cyclohexanamine
  • MW: 285.467 | Formula: C20H31N
  • H donors: 1 H acceptors: 0 LogP: 6.09 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCC(CC1)NCC(c1ccccc1)C1CCCCC1
  • InChi: 1S/C20H31N/c1-4-10-17(11-5-1)20(18-12-6-2-7-13-18)16-21-19-14-8-3-9-15-19/h1,4-5,10-11,18-21H,2-3,6-9,12-16H2
  • InChiKey: GAFLDXPJRZTPPV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-cyclohexyl-2-phenyl-ethyl)cyclohexanamine
  • cyclohexyl-(2-cyclohexyl-2-phenyl-ethyl)amine
  • N,2-dicyclohexyl-2-phenethylamine
  • 81311-33-3
  • Benzeneethanamine, N,beta-dicyclohexyl-

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
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0139 0.0281 0.0683
Toxoplasma gondii hypothetical protein 0.0548 0.2183 0.5
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0412 0.1549 0.5
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0194 0.0537 0.1306
Mycobacterium tuberculosis Probable phosphoribosylformylglycinamidine CYCLO-ligase PurM (AIRS) (phosphoribosyl-aminoimidazole synthetase) (air synthase) 0.0212 0.0623 1
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.0139 0.0281 0.4509
Echinococcus multilocularis folate receptor beta 0.2229 1 0.5
Onchocerca volvulus 0.0212 0.0623 1
Wolbachia endosymbiont of Brugia malayi phosphoribosylamine--glycine ligase 0.0963 0.4111 1
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0412 0.1549 0.5
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0122 0.0202 0.0491
Mycobacterium ulcerans phosphoribosylamine--glycine ligase 0.0963 0.4111 1
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT 0.0963 0.4111 1
Trichomonas vaginalis aldehyde oxidase, putative 0.0412 0.1549 0.5
Mycobacterium ulcerans phosphoribosylaminoimidazole synthetase 0.0212 0.0623 0.1515
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.0194 0.0537 0.1306
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.0194 0.0537 0.8624
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0273 0.0902 0.2195
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0139 0.0281 0.0683
Mycobacterium tuberculosis Probable phosphoribosylamine--glycine ligase PurD (GARS) (glycinamide ribonucleotide synthetase) (phosphoribosylglycinamide synt 0.0141 0.0288 0.4626

Activities

Activity type Activity value Assay description Source Reference
Alpha-adrenolytic activity (functional) = 7.9 Alpha-adrenolytic activity (pA2) on the descending thoracic branch of the rat aorta ChEMBL. 6124638
Ca2+ antagonism (functional) = 4.6 Antagonism of calcium-induced contraction of a depolarized coronary in pig ChEMBL. 6124638
Coronary flow (functional) = 62 In vivo percent coronary flow in Mongrel dogs after administration at 3 mg/Kg (iv) ChEMBL. 6124638

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.