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Name | Isocarbacyclin |
---|---|
Molecular formula | C21H34O4 |
IUPAC name | 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid |
Molecular weight | 350.499 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 3.4 |
Synonyms | 9-O-methanoprostaglandin I TEI-7165 D02YIJ 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid J2E3T1I1U9 [ Show all ] |
Inchi Key | JANVYOZZTKSZGN-WCAFQOMDSA-N |
Inchi ID | InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h10-12,16-20,22-23H,2-9,13-14H2,1H3,(H,24,25)/b11-10+/t16-,17-,18+,19-,20+/m0/s1 |
PubChem CID | 5311244 |
ChEMBL | N/A |
IUPHAR | 1934 |
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 |
---|---|---|---|---|---|
554008 | Prostacyclin receptor | P43252 | Ptgir | Mus musculus (Mouse) | 415 |
554007 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
554006 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
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