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Ligand

NameCHEMBL3596492
Molecular formulaC28H27F3N2O
IUPAC name4-[3-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile
Molecular weight464.532
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP6.1
SynonymsAGAVJQRYUXAJGE-UHFFFAOYSA-N
3'-(((1-Methyl-4-phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)biphenyl-4-carbonitrile
BDBM50106365
SCHEMBL3599901
Inchi KeyAGAVJQRYUXAJGE-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27F3N2O/c1-33-13-11-27(12-14-33,25-5-3-2-4-6-25)20-34-19-22-15-24(17-26(16-22)28(29,30)31)23-9-7-21(18-32)8-10-23/h2-10,15-17H,11-14,19-20H2,1H3
PubChem CID24785717
ChEMBLCHEMBL3596492
IUPHARN/A
BindingDB50106365
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463457Substance-P receptorP25103TACR1Homo sapiens (Human)407
463458Substance-P receptorQ5DUB1TACR1Meriones unguiculatus (Mongolian jird)407
557413Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407

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