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Name | CHEMBL3938068 |
---|---|
Molecular formula | C26H20F2N2O4 |
IUPAC name | 2-[2-(4-fluorophenyl)-6-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]-1-oxoisoquinolin-3-yl]acetic acid |
Molecular weight | 462.453 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 3.9 |
Synonyms | BDBM210748 SCHEMBL15638434 US9290454, 2.1 |
Inchi Key | ALNYGGOIUJUKCH-OAHLLOKOSA-N |
Inchi ID | InChI=1S/C26H20F2N2O4/c1-15(16-2-5-19(27)6-3-16)29-25(33)17-4-11-23-18(12-17)13-22(14-24(31)32)30(26(23)34)21-9-7-20(28)8-10-21/h2-13,15H,14H2,1H3,(H,29,33)(H,31,32)/t15-/m1/s1 |
PubChem CID | 90094966 |
ChEMBL | CHEMBL3938068 |
IUPHAR | N/A |
BindingDB | 210748 |
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 |
---|---|---|---|---|---|
519734 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
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