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Name | CHEMBL1257490 |
---|---|
Molecular formula | C22H19BrN2S |
IUPAC name | 2-(4-bromophenyl)-N-[(2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine |
Molecular weight | 423.372 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 5.5 |
Synonyms | BDBM50327537 2-(4-bromophenyl)-N-((2-(thiophen-3-yl)quinolin-3-yl)methyl)ethanamine |
Inchi Key | MZAWFPXCLQLZDG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H19BrN2S/c23-20-7-5-16(6-8-20)9-11-24-14-19-13-17-3-1-2-4-21(17)25-22(19)18-10-12-26-15-18/h1-8,10,12-13,15,24H,9,11,14H2 |
PubChem CID | 52941381 |
ChEMBL | CHEMBL1257490 |
IUPHAR | N/A |
BindingDB | 50327537 |
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 |
---|---|---|---|---|---|
217680 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
217681 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
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