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Name | CHEMBL3794185 |
---|---|
Molecular formula | C21H23ClO5S |
IUPAC name | 4-[(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]thiophene-2-carboxylic acid |
Molecular weight | 422.92 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 4.4 |
Synonyms | SCHEMBL18409912 BDBM50156528 |
Inchi Key | BOUVPWYXHRMMHT-YRGVVPAESA-N |
Inchi ID | InChI=1S/C21H23ClO5S/c1-11-6-13(2-4-16(11)22)26-9-15-14-3-5-18(27-19(14)8-17(15)23)12-7-20(21(24)25)28-10-12/h2,4,6-7,10,14-15,17-19,23H,3,5,8-9H2,1H3,(H,24,25)/t14-,15-,17-,18-,19+/m1/s1 |
PubChem CID | 126495427 |
ChEMBL | CHEMBL3794185 |
IUPHAR | N/A |
BindingDB | 50156528 |
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 |
---|---|---|---|---|---|
522433 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
522431 | Prostaglandin E2 receptor EP1 subtype | P34995 | PTGER1 | Homo sapiens (Human) | 402 |
522430 | Prostaglandin E2 receptor EP2 subtype | P43116 | PTGER2 | Homo sapiens (Human) | 358 |
522432 | Prostaglandin E2 receptor EP3 subtype | P43115 | PTGER3 | Homo sapiens (Human) | 390 |
522434 | Prostaglandin E2 receptor EP4 subtype | P35408 | PTGER4 | Homo sapiens (Human) | 488 |
522429 | Prostaglandin F2-alpha receptor | P43088 | PTGFR | Homo sapiens (Human) | 359 |
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