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Name | SC46275 |
---|---|
Molecular formula | C25H36O5 |
IUPAC name | methyl (Z)-7-[(1R,2R,3R)-2-[(1E,4R,5E)-6-(cyclopenten-1-yl)-4-hydroxy-4-methylhexa-1,5-dienyl]-3-hydroxy-5-oxocyclopentyl]hept-4-enoate |
Molecular weight | 416.558 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 2.8 |
Synonyms | 4-Heptenoic acid, 7-((1R,2R,3R)-2-((1E,4R,5E)-6-(1-cyclopenten-1-yl)-4-hydroxy-4-methyl-1,5-hexadien-1-yl)-3-hydroxy-5-oxocyclopentyl)-, methyl ester, (4Z)-rel- methyl (Z)-7-[(1R,2R,3R)-2-[(1E,4R,5E)-6-(cyclopenten-1-yl)-4-hydroxy-4-methylhexa-1,5-dienyl]-3-hydroxy-5-oxocyclopentyl]hept-4-enoate CHEMBL49922 SC-46275 137255-19-7 [ Show all ] |
Inchi Key | ZZVPHCPLTZTOBC-ZNJGPPGCSA-N |
Inchi ID | InChI=1S/C25H36O5/c1-25(29,17-15-19-10-7-8-11-19)16-9-13-21-20(22(26)18-23(21)27)12-5-3-4-6-14-24(28)30-2/h3-4,9-10,13,15,17,20-21,23,27,29H,5-8,11-12,14,16,18H2,1-2H3/b4-3-,13-9+,17-15+/t20-,21-,23-,25-/m1/s1 |
PubChem CID | 5311427 |
ChEMBL | N/A |
IUPHAR | 3331 |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
555475 | Prostaglandin E2 receptor EP3 subtype | P34980 | Ptger3 | Rattus norvegicus (Rat) | 365 |
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