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Name | CHEMBL3890284 |
---|---|
Molecular formula | C25H22FNO4 |
IUPAC name | 2-[4-fluoro-3-(2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-8-yl)phenyl]acetic acid |
Molecular weight | 419.452 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.3 |
Synonyms | BDBM205554 SCHEMBL15056648 US9255090, 23 |
Inchi Key | ATVQOIGBXSDAFS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H22FNO4/c26-23-10-9-18(14-24(28)29)13-21(23)20-8-4-7-19-11-12-27(15-22(19)20)25(30)31-16-17-5-2-1-3-6-17/h1-10,13H,11-12,14-16H2,(H,28,29) |
PubChem CID | 71611970 |
ChEMBL | CHEMBL3890284 |
IUPHAR | N/A |
BindingDB | 205554 |
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 |
---|---|---|---|---|---|
517390 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
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