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Ligand

NameCHEMBL2336216
Molecular formulaC23H23F3N4O2
IUPAC name[1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
Molecular weight444.458
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50429144
Inchi KeyDQWNTGMOUIJOAL-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23F3N4O2/c1-15-20(21(31)30-13-6-5-10-18(30)16-8-7-12-27-14-16)22(29(2)28-15)32-19-11-4-3-9-17(19)23(24,25)26/h3-4,7-9,11-12,14,18H,5-6,10,13H2,1-2H3
PubChem CID71561614
ChEMBLCHEMBL2336216
IUPHARN/A
BindingDB50429144
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
66694G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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