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Name | CHEMBL1257260 |
---|---|
Molecular formula | C24H23BrN2OS |
IUPAC name | 2-(4-bromophenyl)-N-[(7-ethoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine |
Molecular weight | 467.425 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 5.9 |
Synonyms | BDBM50327534 SCHEMBL4740903 2-(4-bromophenyl)-n-((7-ethoxy-2-(thiophen-3-yl)quinolin-3-yl)methyl)ethanamine |
Inchi Key | IPKVFQNNIKJJLC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H23BrN2OS/c1-2-28-22-8-5-18-13-20(15-26-11-9-17-3-6-21(25)7-4-17)24(27-23(18)14-22)19-10-12-29-16-19/h3-8,10,12-14,16,26H,2,9,11,15H2,1H3 |
PubChem CID | 52946134 |
ChEMBL | CHEMBL1257260 |
IUPHAR | N/A |
BindingDB | 50327534 |
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 |
---|---|---|---|---|---|
138663 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
138664 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
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