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Name | CHEMBL1257381 |
---|---|
Molecular formula | C23H19BrN2O2S |
IUPAC name | 3-[[2-(4-bromophenyl)ethylamino]methyl]-2-thiophen-3-ylquinoline-7-carboxylic acid |
Molecular weight | 467.381 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 2.8 |
Synonyms | KFUJPWYOARIOCE-UHFFFAOYSA-N 3-((4-bromophenethylamino)methyl)-2-(thiophen-3-yl)quinoline-7-carboxylic acid SCHEMBL4741346 BDBM50327536 |
Inchi Key | KFUJPWYOARIOCE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H19BrN2O2S/c24-20-5-1-15(2-6-20)7-9-25-13-19-11-16-3-4-17(23(27)28)12-21(16)26-22(19)18-8-10-29-14-18/h1-6,8,10-12,14,25H,7,9,13H2,(H,27,28) |
PubChem CID | 52949831 |
ChEMBL | CHEMBL1257381 |
IUPHAR | N/A |
BindingDB | 50327536 |
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 |
---|---|---|---|---|---|
168116 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
168117 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
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