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Ligand

NameCHEMBL2435924
Molecular formulaC22H14F7N3
IUPAC name2-[3,5-bis(trifluoromethyl)phenyl]-2-[[4-(2-fluorophenyl)pyridin-3-yl]methylamino]acetonitrile
Molecular weight453.364
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50441389
Inchi KeyJHROTYQIVZBEAV-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H14F7N3/c23-19-4-2-1-3-18(19)17-5-6-31-11-14(17)12-32-20(10-30)13-7-15(21(24,25)26)9-16(8-13)22(27,28)29/h1-9,11,20,32H,12H2
PubChem CID73352466
ChEMBLCHEMBL2435924
IUPHARN/A
BindingDB50441389
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
151245G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329
151246G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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