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Name | CHEMBL3927763 |
---|---|
Molecular formula | C28H27F2NO4 |
IUPAC name | 2-[4-ethoxy-3-[5-fluoro-2-[3-(4-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 | US9255090, 310 BDBM205841 SCHEMBL15056091 |
Inchi Key | AFOJDKYWEPADOG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H27F2NO4/c1-2-35-26-11-5-19(16-28(33)34)15-23(26)21-9-10-25(30)22-13-14-31(17-24(21)22)27(32)12-6-18-3-7-20(29)8-4-18/h3-5,7-11,15H,2,6,12-14,16-17H2,1H3,(H,33,34) |
PubChem CID | 89648655 |
ChEMBL | CHEMBL3927763 |
IUPHAR | N/A |
BindingDB | 205841 |
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 |
---|---|---|---|---|---|
517341 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
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