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Ligand

NameCHEMBL3596489
Molecular formulaC28H27F3N2O
IUPAC name2-methyl-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile
Molecular weight464.532
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50106362
SCHEMBL3597428
Inchi KeyWLQSLLDHJGPWEI-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27F3N2O/c1-20-13-22(7-8-23(20)17-32)24-14-21(15-26(16-24)28(29,30)31)18-34-19-27(9-11-33-12-10-27)25-5-3-2-4-6-25/h2-8,13-16,33H,9-12,18-19H2,1H3
PubChem CID58993670
ChEMBLCHEMBL3596489
IUPHARN/A
BindingDB50106362
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
509365Substance-P receptorQ5DUB1TACR1Meriones unguiculatus (Mongolian jird)407
569012Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407

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