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Ligand

NameCHEMBL3596467
Molecular formulaC27H25F3N2O
IUPAC name3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile
Molecular weight450.505
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM50106379
SCHEMBL13404155
Inchi KeyIEHYCCXHMLINGC-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H25F3N2O/c28-27(29,30)25-15-21(14-23(16-25)22-6-4-5-20(13-22)17-31)18-33-19-26(9-11-32-12-10-26)24-7-2-1-3-8-24/h1-8,13-16,32H,9-12,18-19H2
PubChem CID24784955
ChEMBLCHEMBL3596467
IUPHARN/A
BindingDB50106379
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
479075Substance-P receptorQ5DUB1TACR1Meriones unguiculatus (Mongolian jird)407
561360Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407

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