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Ligand

NameCHEMBL3596484
Molecular formulaC27H24F4N2O
IUPAC name2-fluoro-4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile
Molecular weight468.496
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50106357
SCHEMBL3592766
Inchi KeyRERNQPGOCICOTR-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H24F4N2O/c28-25-15-20(6-7-21(25)16-32)22-12-19(13-24(14-22)27(29,30)31)17-34-18-26(8-10-33-11-9-26)23-4-2-1-3-5-23/h1-7,12-15,33H,8-11,17-18H2
PubChem CID58993471
ChEMBLCHEMBL3596484
IUPHARN/A
BindingDB50106357
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
499325Substance-P receptorQ5DUB1TACR1Meriones unguiculatus (Mongolian jird)407
566468Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407

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