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Name | CHEMBL417171 |
---|---|
Molecular formula | C21H26F3NO4 |
IUPAC name | 7-[(2R)-2-[(E)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid |
Molecular weight | 413.437 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 3.1 |
Synonyms | BDBM50142479 SCHEMBL5733260 7-{(R)-2-[(E)-3-Hydroxy-3-(3-trifluoromethyl-phenyl)-propenyl]-5-oxo-pyrrolidin-1-yl}-heptanoic acid |
Inchi Key | ALOFPCCPHHKNFS-UFNCHRQHSA-N |
Inchi ID | InChI=1S/C21H26F3NO4/c22-21(23,24)16-7-5-6-15(14-16)18(26)11-9-17-10-12-19(27)25(17)13-4-2-1-3-8-20(28)29/h5-7,9,11,14,17-18,26H,1-4,8,10,12-13H2,(H,28,29)/b11-9+/t17-,18?/m0/s1 |
PubChem CID | 44289977 |
ChEMBL | CHEMBL417171 |
IUPHAR | N/A |
BindingDB | 50142479 |
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 |
---|---|---|---|---|---|
8448 | Prostaglandin E2 receptor EP2 subtype | P43116 | PTGER2 | Homo sapiens (Human) | 358 |
8447 | Prostaglandin E2 receptor EP3 subtype | P43115 | PTGER3 | Homo sapiens (Human) | 390 |
8446 | Prostaglandin E2 receptor EP4 subtype | P35408 | PTGER4 | Homo sapiens (Human) | 488 |
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