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Name | CHEMBL1929527 |
---|---|
Molecular formula | C22H31NO5S |
IUPAC name | 4-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]butanoic acid |
Molecular weight | 421.552 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 1.6 |
Synonyms | (13E,15S)-9-Oxo-15-hydroxy-16-[3-(methoxymethyl)phenyl]-5-thia-8-aza-17,18,19,20-tetranorprosta-13-ene-1-oic acid BDBM50360160 SCHEMBL11929380 |
Inchi Key | CERPXAWHPJKQQI-QOEWUMFVSA-N |
Inchi ID | InChI=1S/C22H31NO5S/c1-28-16-18-5-2-4-17(14-18)15-20(24)9-7-19-8-10-21(25)23(19)11-13-29-12-3-6-22(26)27/h2,4-5,7,9,14,19-20,24H,3,6,8,10-13,15-16H2,1H3,(H,26,27)/b9-7+/t19-,20+/m0/s1 |
PubChem CID | 56834112 |
ChEMBL | CHEMBL1929527 |
IUPHAR | N/A |
BindingDB | 50360160 |
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 |
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40196 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
40197 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
40195 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
40194 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
40198 | Prostaglandin E2 receptor EP4 subtype | P43114 | Ptger4 | Rattus norvegicus (Rat) | 488 |
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