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Name | CHEMBL571497 |
---|---|
Molecular formula | C32H52N2O3 |
IUPAC name | (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-N-(2-amino-2-oxoethyl)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxamide |
Molecular weight | 512.779 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 3 |
XlogP | 6.9 |
Synonyms | BDBM50303471 (1R,3alphaS,5alphaR,5betaR,9S,11aR)-N-(carbamoylmethyl)-icosahydro-9-hydroxy-5alpha,5beta,8,8,11alpha-pentamethyl-1-(prop-1-en-2-yl)-1H-cyclopenta[a]chrysene-3alpha-carboxamide |
Inchi Key | BBLSHACXYUMXAD-ZZJQNEBHSA-N |
Inchi ID | InChI=1S/C32H52N2O3/c1-19(2)20-10-15-32(27(37)34-18-25(33)36)17-16-30(6)21(26(20)32)8-9-23-29(5)13-12-24(35)28(3,4)22(29)11-14-31(23,30)7/h20-24,26,35H,1,8-18H2,2-7H3,(H2,33,36)(H,34,37)/t20-,21+,22-,23+,24-,26+,29-,30+,31+,32-/m0/s1 |
PubChem CID | 44626900 |
ChEMBL | CHEMBL571497 |
IUPHAR | N/A |
BindingDB | 50303471 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
19601 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
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