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Name | BDBM50437882 |
---|---|
Molecular formula | C23H22N2O3 |
IUPAC name | 4-[1-(2-methylphenyl)-3-(2-methylpyridin-4-yl)-3-nitrosopropyl]benzoic acid |
Molecular weight | 374.44 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.3 |
Synonyms | N/A |
Inchi Key | GMZJHGZSQIVJEK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H22N2O3/c1-15-5-3-4-6-20(15)21(17-7-9-18(10-8-17)23(26)27)14-22(25-28)19-11-12-24-16(2)13-19/h3-13,21-22H,14H2,1-2H3,(H,26,27) |
PubChem CID | 91898729 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50437882 |
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 |
---|---|---|---|---|---|
100374 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
100375 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
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