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Name | CHEMBL3290736 |
---|---|
Molecular formula | C29H26ClN3O5 |
IUPAC name | 3-[5-chloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxy-3-methyl-1-benzofuran-2-yl]propanoic acid |
Molecular weight | 531.993 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 5.0 |
Synonyms | BDBM50019466 |
Inchi Key | KBEYTIZTXJACDD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H26ClN3O5/c1-17-23(10-11-26(34)35)37-25-9-8-20(30)28(27(17)25)38-24-12-13-31-16-19(24)29(36)33-15-14-32(18-6-7-18)21-4-2-3-5-22(21)33/h2-5,8-9,12-13,16,18H,6-7,10-11,14-15H2,1H3,(H,34,35) |
PubChem CID | 90644448 |
ChEMBL | CHEMBL3290736 |
IUPHAR | N/A |
BindingDB | 50019466 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
164977 | G-protein coupled bile acid receptor 1 | Q80SS6 | Gpbar1 | Mus musculus (Mouse) | 329 |
164978 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
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