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Name | CHEMBL3401351 |
---|---|
Molecular formula | C25H42O3 |
IUPAC name | (2S,4R)-4-[(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]-2-methylpentanoic acid |
Molecular weight | 390.608 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 6.8 |
Synonyms | SCHEMBL592955 (23S)-3alpha-Hydroxy-23-methyl-5beta-cholane-24-oic acid BDBM50065435 DNTJEWIAGFGJKP-DCOQOMBNSA-N 23(S)-Methyl-3alpha-hydroxy-5beta-cholan-24-oic acid |
Inchi Key | DNTJEWIAGFGJKP-DCOQOMBNSA-N |
Inchi ID | InChI=1S/C25H42O3/c1-15(13-16(2)23(27)28)20-7-8-21-19-6-5-17-14-18(26)9-11-24(17,3)22(19)10-12-25(20,21)4/h15-22,26H,5-14H2,1-4H3,(H,27,28)/t15-,16+,17-,18-,19+,20-,21+,22+,24+,25-/m1/s1 |
PubChem CID | 66737876 |
ChEMBL | CHEMBL3401351 |
IUPHAR | N/A |
BindingDB | 50065435 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
444242 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
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