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Name | CHEMBL293242 |
---|---|
Molecular formula | C23H36O5 |
IUPAC name | (E)-7-[(1R,3R)-3-hydroxy-2-[(E,4S)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid |
Molecular weight | 392.536 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 3.6 |
Synonyms | (E)-7-{(1R,3R)-3-Hydroxy-2-[(E)-(S)-4-hydroxy-4-(1-propyl-cyclobutyl)-but-1-enyl]-5-oxo-cyclopentyl}-hept-5-enoic acid BDBM50101832 |
Inchi Key | HJVBXPOYFHMZAS-DXLHXWNHSA-N |
Inchi ID | InChI=1S/C23H36O5/c1-2-13-23(14-8-15-23)21(26)11-7-10-18-17(19(24)16-20(18)25)9-5-3-4-6-12-22(27)28/h3,5,7,10,17-18,20-21,25-26H,2,4,6,8-9,11-16H2,1H3,(H,27,28)/b5-3+,10-7+/t17-,18?,20-,21+/m1/s1 |
PubChem CID | 44304199 |
ChEMBL | CHEMBL293242 |
IUPHAR | N/A |
BindingDB | 50101832 |
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 |
---|---|---|---|---|---|
116848 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
116850 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
116851 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
116847 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
116849 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
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