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Name | CHEMBL382197 |
---|---|
Molecular formula | C28H31NO4S |
IUPAC name | 5-[3-[(2S)-2-[3-hydroxy-4-(3-phenylphenyl)butyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylic acid |
Molecular weight | 477.619 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 5.4 |
Synonyms | BDBM50181290 SCHEMBL4992003 5-{3-[(S)-2-(4-biphenyl-3-yl-3-hydroxy-butyl)-5-oxo-pyrrolidin-1-yl]-propyl}-thiophene-2-carboxylic acid |
Inchi Key | BCBYBNIDJGIOQL-UXMRNZNESA-N |
Inchi ID | InChI=1S/C28H31NO4S/c30-24(19-20-6-4-9-22(18-20)21-7-2-1-3-8-21)13-11-23-12-16-27(31)29(23)17-5-10-25-14-15-26(34-25)28(32)33/h1-4,6-9,14-15,18,23-24,30H,5,10-13,16-17,19H2,(H,32,33)/t23-,24?/m0/s1 |
PubChem CID | 44409910 |
ChEMBL | CHEMBL382197 |
IUPHAR | N/A |
BindingDB | 50181290 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
20027 | Prostaglandin E2 receptor EP1 subtype | P34995 | PTGER1 | Homo sapiens (Human) | 402 |
20028 | Prostaglandin E2 receptor EP2 subtype | Q62928 | Ptger2 | Rattus norvegicus (Rat) | 357 |
20029 | Prostaglandin E2 receptor EP3 subtype | P43115 | PTGER3 | Homo sapiens (Human) | 390 |
20026 | Prostaglandin E2 receptor EP4 subtype | P43114 | Ptger4 | Rattus norvegicus (Rat) | 488 |
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