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Name | CHEMBL3805134 |
---|---|
Molecular formula | C22H30O6 |
IUPAC name | 4-[(2S,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 | BDBM50169551 SCHEMBL6363019 |
Inchi Key | FTBNLUSUCXCIGD-NGVALPOPSA-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 | 69753740 |
ChEMBL | CHEMBL3805134 |
IUPHAR | N/A |
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 |
---|---|---|---|---|---|
524034 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
524035 | Prostaglandin E2 receptor EP2 subtype | P43116 | PTGER2 | Homo sapiens (Human) | 358 |
538143 | Prostaglandin E2 receptor EP3 subtype | P43115 | PTGER3 | Homo sapiens (Human) | 390 |
524033 | Prostaglandin E2 receptor EP4 subtype | P35408 | PTGER4 | Homo sapiens (Human) | 488 |
538144 | Prostaglandin F2-alpha receptor | P43088 | PTGFR | Homo sapiens (Human) | 359 |
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