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Name | CHEMBL1957437 |
---|---|
Molecular formula | C30H28N2O4S2 |
IUPAC name | 2-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-(3-naphthalen-2-ylphenyl)but-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid |
Molecular weight | 544.684 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 5.7 |
Synonyms | BDBM50366138 SCHEMBL10210682 |
Inchi Key | PKTGJPBPSDSGSS-LRDZJWBWSA-N |
Inchi ID | InChI=1S/C30H28N2O4S2/c33-26(17-20-4-3-7-22(16-20)24-9-8-21-5-1-2-6-23(21)18-24)12-10-25-11-13-28(34)32(25)14-15-37-30-31-27(19-38-30)29(35)36/h1-10,12,16,18-19,25-26,33H,11,13-15,17H2,(H,35,36)/b12-10+/t25-,26+/m0/s1 |
PubChem CID | 57396660 |
ChEMBL | CHEMBL1957437 |
IUPHAR | N/A |
BindingDB | 50366138 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
262207 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
262203 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
262206 | Prostaglandin E2 receptor EP2 subtype | Q62928 | Ptger2 | Rattus norvegicus (Rat) | 357 |
262204 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
262205 | Prostaglandin E2 receptor EP4 subtype | P43114 | Ptger4 | Rattus norvegicus (Rat) | 488 |
262208 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
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