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Name | CHEMBL1257142 |
---|---|
Molecular formula | C22H20BrN3O2 |
IUPAC name | 2-(4-bromophenyl)-N-[[7-methoxy-2-(1,3-oxazol-2-yl)quinolin-3-yl]methyl]ethanamine |
Molecular weight | 438.325 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.3 |
Synonyms | 2-(4-bromophenyl)-N-((7-methoxy-2-(oxazol-2-yl)quinolin-3-yl)methyl)ethanamine BDBM50327531 |
Inchi Key | KGUAJOIDQISJTF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H20BrN3O2/c1-27-19-7-4-16-12-17(14-24-9-8-15-2-5-18(23)6-3-15)21(26-20(16)13-19)22-25-10-11-28-22/h2-7,10-13,24H,8-9,14H2,1H3 |
PubChem CID | 52948571 |
ChEMBL | CHEMBL1257142 |
IUPHAR | N/A |
BindingDB | 50327531 |
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 |
---|---|---|---|---|---|
168824 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
168825 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
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