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Name | CHEMBL363439 |
---|---|
Molecular formula | C23H29F3O6 |
IUPAC name | (Z)-8-[(2R,3S,4R)-4-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]oxolan-3-yl]oct-4-enoic acid |
Molecular weight | 458.474 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 3.4 |
Synonyms | BDBM50150893 (Z)-8-{(2R,3S,4R)-4-Hydroxy-2-[(E)-(S)-3-hydroxy-4-(3-trifluoromethyl-phenoxy)-but-1-enyl]-tetrahydro-furan-3-yl}-oct-4-enoic acid |
Inchi Key | YSNMVDVQOSTSDX-ONFDZLJGSA-N |
Inchi ID | InChI=1S/C23H29F3O6/c24-23(25,26)16-7-6-8-18(13-16)31-14-17(27)11-12-21-19(20(28)15-32-21)9-4-2-1-3-5-10-22(29)30/h1,3,6-8,11-13,17,19-21,27-28H,2,4-5,9-10,14-15H2,(H,29,30)/b3-1-,12-11+/t17-,19-,20-,21+/m0/s1 |
PubChem CID | 44393457 |
ChEMBL | CHEMBL363439 |
IUPHAR | N/A |
BindingDB | 50150893 |
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 |
---|---|---|---|---|---|
418200 | Prostaglandin F2-alpha receptor | P37289 | PTGFR | Bos taurus (Bovine) | 362 |
418201 | Prostaglandin F2-alpha receptor | P43088 | PTGFR | Homo sapiens (Human) | 359 |
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