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Name | Etiocholanediol |
---|---|
Molecular formula | C19H32O2 |
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 weight | 292.463 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 2 |
XlogP | 4.2 |
Synonyms | (3|A,5|A,17|A)-Androstane-3,17-diol 5beta-Androstane-3alpha,17beta-diol CHEBI:36714 UNII-D8A379RX68 3alpha,17beta-Dihydroxyetiocholane [ Show all ] |
Inchi Key | CBMYJHIOYJEBSB-GCXXXECGSA-N |
Inchi ID | InChI=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 CID | 134494 |
ChEMBL | CHEMBL410494 |
IUPHAR | N/A |
BindingDB | 50375558 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
38010 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
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