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Ligand

NameEtiocholanediol
Molecular formulaC19H32O2
IUPAC name(3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Molecular weight292.463
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP4.2
SynonymsETIOCHOLANDIOL
3|A,17|A-Dihydroxyetiocholane
Androstane-3,17-diol, (3alpha,5beta,17beta)-
beta-Androstane-3a,17b-diol
SCHEMBL1877089
[ Show all ]
Inchi KeyCBMYJHIOYJEBSB-GCXXXECGSA-N
Inchi IDInChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18+,19+/m1/s1
PubChem CID134494
ChEMBLCHEMBL410494
IUPHARN/A
BindingDB50375558
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
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GLASS IDNameUniProtGeneSpeciesLength
38010G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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