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Name | CHEMBL3982726 |
---|---|
Molecular formula | C22H30O6 |
IUPAC name | 4-[(2R,4aR,5R,6R,7aS)-6-hydroxy-5-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]butanoic acid |
Molecular weight | 390.476 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 2.3 |
Synonyms | 5alpha,9-Epoxy-prostaglandin F1 BDBM50206020 5,9-E-16-P-PGF1 Cyclopenta(b)pyran-2-butanoic acid, octahydro-6-hydroxy-5-(3-hydroxy-4-phenoxy-1-butenyl)-, (2R-(2alpha,4abeta,5beta(1E,3R*),6alpha,7abeta))- (5alpha)-5,9-Epoxy-16-phenoxy PGF(1) [ Show all ] |
Inchi Key | FTBNLUSUCXCIGD-OVCPVMRKSA-N |
Inchi ID | InChI=1S/C22H30O6/c23-15(14-27-16-5-2-1-3-6-16)9-11-18-19-12-10-17(7-4-8-22(25)26)28-21(19)13-20(18)24/h1-3,5-6,9,11,15,17-21,23-24H,4,7-8,10,12-14H2,(H,25,26)/b11-9+/t15-,17-,18-,19-,20-,21+/m1/s1 |
PubChem CID | 6443852 |
ChEMBL | CHEMBL3982726 |
IUPHAR | N/A |
BindingDB | 50206020 |
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 |
---|---|---|---|---|---|
538147 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
538145 | Prostaglandin E2 receptor EP3 subtype | P43115 | PTGER3 | Homo sapiens (Human) | 390 |
538146 | Prostaglandin F2-alpha receptor | P43088 | PTGFR | Homo sapiens (Human) | 359 |
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