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Name | CHEMBL3956812 |
---|---|
Molecular formula | C27H27FN2O4 |
IUPAC name | 2-[3-[5-fluoro-2-(3-pyridin-2-ylbutanoyl)-3,4-dihydro-1H-isoquinolin-8-yl]-4-methoxyphenyl]acetic acid |
Molecular weight | 462.521 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.6 |
Synonyms | US9255090, 265 BDBM205796 SCHEMBL15056359 |
Inchi Key | AMXXWGMHGKSBEE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H27FN2O4/c1-17(24-5-3-4-11-29-24)13-26(31)30-12-10-20-22(16-30)19(7-8-23(20)28)21-14-18(15-27(32)33)6-9-25(21)34-2/h3-9,11,14,17H,10,12-13,15-16H2,1-2H3,(H,32,33) |
PubChem CID | 89648846 |
ChEMBL | CHEMBL3956812 |
IUPHAR | N/A |
BindingDB | 205796 |
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 |
---|---|---|---|---|---|
536233 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
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