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Name | CHEMBL2036311 |
---|---|
Molecular formula | C28H32N2O4S |
IUPAC name | 4-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(1H-indol-5-yl)phenyl]but-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]butanoic acid |
Molecular weight | 492.634 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 3.7 |
Synonyms | BDBM50385121 SCHEMBL10210685 |
Inchi Key | NUXMYQHRAUGVMF-RSURJUNSSA-N |
Inchi ID | InChI=1S/C28H32N2O4S/c31-25(9-7-24-8-11-27(32)30(24)14-16-35-15-2-5-28(33)34)18-20-3-1-4-21(17-20)22-6-10-26-23(19-22)12-13-29-26/h1,3-4,6-7,9-10,12-13,17,19,24-25,29,31H,2,5,8,11,14-16,18H2,(H,33,34)/b9-7+/t24-,25+/m0/s1 |
PubChem CID | 57893867 |
ChEMBL | CHEMBL2036311 |
IUPHAR | N/A |
BindingDB | 50385121 |
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 |
---|---|---|---|---|---|
232759 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
232760 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
232762 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
232761 | Prostaglandin E2 receptor EP4 subtype | P43114 | Ptger4 | Rattus norvegicus (Rat) | 488 |
232763 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
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