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Ligand

NameCHEMBL272041
Molecular formulaC26H42O4
IUPAC name(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular weight418.618
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.8
Synonyms(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
C-22040
ZINC28536877
3alpha-Acetoxy-5beta-cholanic acid
FCQRLHQHKFKTQE-HCTDMSSWSA-N
[ Show all ]
Inchi KeyFCQRLHQHKFKTQE-HCTDMSSWSA-N
Inchi IDInChI=1S/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)/t16-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1
PubChem CID7203539
ChEMBLCHEMBL272041
IUPHARN/A
BindingDB50375582
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
75139G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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