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Name | CHEMBL2181240 |
---|---|
Molecular formula | C24H21Cl2N3O2 |
IUPAC name | (4-cyclobutyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)pyridin-3-yl]methanone |
Molecular weight | 454.351 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 5.5 |
Synonyms | BDBM50399953 |
Inchi Key | MTODFZWWDNJEKP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H21Cl2N3O2/c25-16-8-9-19(26)23(14-16)31-22-10-11-27-15-18(22)24(30)29-13-12-28(17-4-3-5-17)20-6-1-2-7-21(20)29/h1-2,6-11,14-15,17H,3-5,12-13H2 |
PubChem CID | 71450252 |
ChEMBL | CHEMBL2181240 |
IUPHAR | N/A |
BindingDB | 50399953 |
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 |
---|---|---|---|---|---|
213853 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
213854 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
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