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Name | CHEMBL1933717 |
---|---|
Molecular formula | C21H29NO4S |
IUPAC name | 4-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-(3-methylphenyl)but-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]butanoic acid |
Molecular weight | 391.526 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 2.3 |
Synonyms | (13E,15S)-9-Oxo-15-hydroxy-16-(m-tolyl)-5-thia-8-aza-17,18,19,20-tetranorprosta-13-ene-1-oic acid BDBM50360621 SCHEMBL10210259 4-[2-[(5R)-5-[(3S)-3-Hydroxy-4-(3-methylphenyl)-1-butenyl]-2-oxopyrrolizino]ethylthio]butanoic acid |
Inchi Key | LAZVUQALSSIGQJ-HKBUGEINSA-N |
Inchi ID | InChI=1S/C21H29NO4S/c1-16-4-2-5-17(14-16)15-19(23)9-7-18-8-10-20(24)22(18)11-13-27-12-3-6-21(25)26/h2,4-5,7,9,14,18-19,23H,3,6,8,10-13,15H2,1H3,(H,25,26)/b9-7+/t18-,19+/m0/s1 |
PubChem CID | 12002526 |
ChEMBL | CHEMBL1933717 |
IUPHAR | N/A |
BindingDB | 50360621 |
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 |
---|---|---|---|---|---|
183009 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
183007 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
183010 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
183008 | Prostaglandin E2 receptor EP4 subtype | P43114 | Ptger4 | Rattus norvegicus (Rat) | 488 |
183011 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
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