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Name | CHEMBL2181256 |
---|---|
Molecular formula | C22H18Cl2N4O2 |
IUPAC name | (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)pyrimidin-5-yl]methanone |
Molecular weight | 441.312 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 4.8 |
Synonyms | BDBM50399955 |
Inchi Key | BSHORRBKTIOXHU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H18Cl2N4O2/c23-14-5-8-17(24)20(11-14)30-21-16(12-25-13-26-21)22(29)28-10-9-27(15-6-7-15)18-3-1-2-4-19(18)28/h1-5,8,11-13,15H,6-7,9-10H2 |
PubChem CID | 71452080 |
ChEMBL | CHEMBL2181256 |
IUPHAR | N/A |
BindingDB | 50399955 |
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 |
---|---|---|---|---|---|
31654 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
31655 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
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