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Name | CHEMBL379746 |
---|---|
Molecular formula | C22H26ClNO4S |
IUPAC name | 5-[3-[(2S)-2-[(3R)-4-(3-chlorophenyl)-3-hydroxybutyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylic acid |
Molecular weight | 435.963 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.4 |
Synonyms | SCHEMBL4988406 5-(3-((S)-2-((R)-4-(3-chlorophenyl)-3-hydroxybutyl)-5-oxopyrrolidin-1-yl)propyl)thiophene-2-carboxylic acid BDBM50181274 |
Inchi Key | NESDMEUWISZOKC-ZWKOTPCHSA-N |
Inchi ID | InChI=1S/C22H26ClNO4S/c23-16-4-1-3-15(13-16)14-18(25)8-6-17-7-11-21(26)24(17)12-2-5-19-9-10-20(29-19)22(27)28/h1,3-4,9-10,13,17-18,25H,2,5-8,11-12,14H2,(H,27,28)/t17-,18+/m0/s1 |
PubChem CID | 44409738 |
ChEMBL | CHEMBL379746 |
IUPHAR | N/A |
BindingDB | 50181274 |
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 |
---|---|---|---|---|---|
221488 | Prostaglandin E2 receptor EP2 subtype | Q62928 | Ptger2 | Rattus norvegicus (Rat) | 357 |
221487 | Prostaglandin E2 receptor EP4 subtype | P43114 | Ptger4 | Rattus norvegicus (Rat) | 488 |
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