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Name | CHEMBL2036320 |
---|---|
Molecular formula | C28H30N2O4S2 |
IUPAC name | 2-[2-[(2R)-2-[(E,3S)-4-[3-(2,4-dimethylphenyl)phenyl]-3-hydroxybut-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid |
Molecular weight | 522.678 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 5.2 |
Synonyms | BDBM50385130 SCHEMBL14270372 |
Inchi Key | OAAKRDFPYNRCLP-DKARNCPTSA-N |
Inchi ID | InChI=1S/C28H30N2O4S2/c1-18-6-10-24(19(2)14-18)21-5-3-4-20(15-21)16-23(31)9-7-22-8-11-26(32)30(22)12-13-35-28-29-25(17-36-28)27(33)34/h3-7,9-10,14-15,17,22-23,31H,8,11-13,16H2,1-2H3,(H,33,34)/b9-7+/t22-,23+/m0/s1 |
PubChem CID | 10414412 |
ChEMBL | CHEMBL2036320 |
IUPHAR | N/A |
BindingDB | 50385130 |
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 |
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236186 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
236185 | Prostaglandin E2 receptor EP2 subtype | Q62928 | Ptger2 | Rattus norvegicus (Rat) | 357 |
236187 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
236182 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
236183 | Prostaglandin E2 receptor EP4 subtype | P43114 | Ptger4 | Rattus norvegicus (Rat) | 488 |
236184 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
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