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Name | CHEMBL3421893 |
---|---|
Molecular formula | C28H27Cl2N3O4 |
IUPAC name | ethyl 3-[2,5-dichloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxyphenyl]propanoate |
Molecular weight | 540.441 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 5.6 |
Synonyms | BDBM50081124 |
Inchi Key | DCANVTYBPWSTEA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H27Cl2N3O4/c1-2-36-27(34)10-7-18-15-22(30)26(16-21(18)29)37-25-11-12-31-17-20(25)28(35)33-14-13-32(19-8-9-19)23-5-3-4-6-24(23)33/h3-6,11-12,15-17,19H,2,7-10,13-14H2,1H3 |
PubChem CID | 71626765 |
ChEMBL | CHEMBL3421893 |
IUPHAR | N/A |
BindingDB | 50081124 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
443924 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
443925 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
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