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Ligand

NameCHEMBL160902
Molecular formulaC23H38O3
IUPAC name3-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
Molecular weight362.554
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.9
SynonymsBDBM50375563
Inchi KeyBIGINLZPDKMEPQ-XBBVZQKMSA-N
Inchi IDInChI=1S/C23H38O3/c1-14(12-21(25)26)18-6-7-19-17-5-4-15-13-16(24)8-10-22(15,2)20(17)9-11-23(18,19)3/h14-20,24H,4-13H2,1-3H3,(H,25,26)/t14?,15-,16-,17+,18-,19+,20+,22+,23-/m1/s1
PubChem CID44372731
ChEMBLCHEMBL160902
IUPHARN/A
BindingDB50375563
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24419G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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