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Name | CHEMBL2036325 |
---|---|
Molecular formula | C27H24ClN3O4S3 |
IUPAC name | 2-[2-[(2R)-2-[(E,3S)-4-[3-(5-chloro-1,3-benzothiazol-2-yl)phenyl]-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid |
Molecular weight | 586.136 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 5.6 |
Synonyms | BDBM50385134 SCHEMBL14270370 |
Inchi Key | COBKGDMIGLRUQR-CNIPWFDFSA-N |
Inchi ID | InChI=1S/C27H24ClN3O4S3/c28-18-4-8-23-21(14-18)29-25(38-23)17-3-1-2-16(12-17)13-20(32)7-5-19-6-9-24(33)31(19)10-11-36-27-30-22(15-37-27)26(34)35/h1-5,7-8,12,14-15,19-20,32H,6,9-11,13H2,(H,34,35)/b7-5+/t19-,20+/m0/s1 |
PubChem CID | 10348321 |
ChEMBL | CHEMBL2036325 |
IUPHAR | N/A |
BindingDB | 50385134 |
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 |
---|---|---|---|---|---|
46522 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
46520 | Prostaglandin E2 receptor EP2 subtype | Q62928 | Ptger2 | Rattus norvegicus (Rat) | 357 |
46524 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
46523 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
46521 | Prostaglandin E2 receptor EP4 subtype | P43114 | Ptger4 | Rattus norvegicus (Rat) | 488 |
46525 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
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