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Name | CHEMBL3901887 |
---|---|
Molecular formula | C28H27F2NO4 |
IUPAC name | 2-[3-ethoxy-4-[5-fluoro-2-[3-(2-fluorophenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid |
Molecular weight | 479.524 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 4.8 |
Synonyms | BDBM205848 SCHEMBL15056261 US9255090, 317 |
Inchi Key | AFGWEMLAKSWTKR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H27F2NO4/c1-2-35-26-15-18(16-28(33)34)7-9-22(26)20-10-11-25(30)21-13-14-31(17-23(20)21)27(32)12-8-19-5-3-4-6-24(19)29/h3-7,9-11,15H,2,8,12-14,16-17H2,1H3,(H,33,34) |
PubChem CID | 89648772 |
ChEMBL | CHEMBL3901887 |
IUPHAR | N/A |
BindingDB | 205848 |
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 |
---|---|---|---|---|---|
517339 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
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