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Name | CHEMBL3956817 |
---|---|
Molecular formula | C22H30O6 |
IUPAC name | 3-[(2S,5aR,6R,7R,8aS)-7-hydroxy-6-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-3,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[b]oxepin-2-yl]propanoic acid |
Molecular weight | 390.476 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 2.3 |
Synonyms | BDBM50206012 SCHEMBL3783873 |
Inchi Key | CYLHGVYASRLHMY-NGVALPOPSA-N |
Inchi ID | InChI=1S/C22H30O6/c23-15(14-27-16-5-2-1-3-6-16)9-11-18-19-8-4-7-17(10-12-22(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 | 68785185 |
ChEMBL | CHEMBL3956817 |
IUPHAR | N/A |
BindingDB | 50206012 |
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 |
---|---|---|---|---|---|
537314 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
537313 | Prostaglandin E2 receptor EP3 subtype | P43115 | PTGER3 | Homo sapiens (Human) | 390 |
537315 | Prostaglandin F2-alpha receptor | P43088 | PTGFR | Homo sapiens (Human) | 359 |
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