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Name | CHEMBL3793009 |
---|---|
Molecular formula | C20H22ClNO6 |
IUPAC name | 2-[(2R,4aR,5S,6R,7aS)-5-[(4-chloro-3-methylphenoxy)methyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-oxazole-4-carboxylic acid |
Molecular weight | 407.847 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 3.2 |
Synonyms | BDBM50156530 |
Inchi Key | AGDRDTDMBKFWKW-BSPHMWTBSA-N |
Inchi ID | InChI=1S/C20H22ClNO6/c1-10-6-11(2-4-14(10)21)26-8-13-12-3-5-17(28-18(12)7-16(13)23)19-22-15(9-27-19)20(24)25/h2,4,6,9,12-13,16-18,23H,3,5,7-8H2,1H3,(H,24,25)/t12-,13-,16-,17-,18+/m1/s1 |
PubChem CID | 127029402 |
ChEMBL | CHEMBL3793009 |
IUPHAR | N/A |
BindingDB | 50156530 |
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 |
---|---|---|---|---|---|
521596 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
521599 | Prostaglandin E2 receptor EP1 subtype | P34995 | PTGER1 | Homo sapiens (Human) | 402 |
521598 | Prostaglandin E2 receptor EP2 subtype | P43116 | PTGER2 | Homo sapiens (Human) | 358 |
521600 | Prostaglandin E2 receptor EP3 subtype | P43115 | PTGER3 | Homo sapiens (Human) | 390 |
521601 | Prostaglandin E2 receptor EP4 subtype | P35408 | PTGER4 | Homo sapiens (Human) | 488 |
521597 | Prostaglandin F2-alpha receptor | P43088 | PTGFR | Homo sapiens (Human) | 359 |
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