Detailed information for compound 325580

Basic information

Technical information
  • TDR Targets ID: 325580
  • Name: N-cyclohexyl-N-[2-(cyclohexylamino)-1-(4-fluo rophenyl)-2-oxoethyl]-5-phenyl-1H-pyrrole-2-c arboxamide
  • MW: 501.635 | Formula: C31H36FN3O2
  • H donors: 2 H acceptors: 2 LogP: 6.93 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(C(N(C(=O)c1ccc([nH]1)c1ccccc1)C1CCCCC1)c1ccc(cc1)F)NC1CCCCC1
  • InChi: 1S/C31H36FN3O2/c32-24-18-16-23(17-19-24)29(30(36)33-25-12-6-2-7-13-25)35(26-14-8-3-9-15-26)31(37)28-21-20-27(34-28)22-10-4-1-5-11-22/h1,4-5,10-11,16-21,25-26,29,34H,2-3,6-9,12-15H2,(H,33,36)
  • InChiKey: HXAZRSBNGPWGSV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-cyclohexyl-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxo-ethyl]-5-phenyl-1H-pyrrole-2-carboxamide
  • N-cyclohexyl-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-keto-ethyl]-5-phenyl-1H-pyrrole-2-carboxamide
  • ASN 03895286

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
Echinococcus multilocularis conserved hypothetical protein 0.0667 0.1422 0.1977
Schistosoma mansoni biogenic amine (5HT) receptor 0.0584 0.0325 0.5
Echinococcus multilocularis serotonin receptor 0.0584 0.0325 0.0451
Brugia malayi Adenylyl cyclase protein 0.0559 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1102 0.7194 1
Echinococcus multilocularis serotonin receptor 0.0584 0.0325 0.0451
Onchocerca volvulus Adenylate cyclase type 3 homolog 0.1239 0.9 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0584 0.0325 0.0451
Echinococcus granulosus tm gpcr rhodopsin 0.1102 0.7194 1
Loa Loa (eye worm) hypothetical protein 0.0584 0.0325 0.0325
Loa Loa (eye worm) hypothetical protein 0.121 0.8616 0.8616
Echinococcus granulosus adenylate cyclase type IX 0.0846 0.3792 0.5271
Loa Loa (eye worm) hypothetical protein 0.0584 0.0325 0.0325
Echinococcus multilocularis adenylate cyclase type IX 0.0846 0.3792 0.5271
Echinococcus granulosus hypothetical protein 0.0745 0.246 0.342

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Tested for growth hormone secretagogue activity in A93 cell line using a calcium flux assay at 10 uM (Relative to compound T1); NA means not active ChEMBL. 15294000
Activity (functional) 0 Tested for growth hormone secretagogue activity in A93 cell line using a calcium flux assay at 10 uM (Relative to compound T1); NA means not active ChEMBL. 15294000
Ki (binding) uM Binding affinity for human growth hormone secretagogue receptor using [125I]-ghrelin; NM means not measured ChEMBL. 15294000
Ki (binding) 0 uM Binding affinity for human growth hormone secretagogue receptor using [125I]-ghrelin; NM means not measured ChEMBL. 15294000

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.

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