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Name | CHEMBL293856 |
---|---|
Molecular formula | C22H30O6S2 |
IUPAC name | 2-[3-[(1R,2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid |
Molecular weight | 454.596 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 2.0 |
Synonyms | 253350-43-5 SCHEMBL3683053 AKOS027326889 BDBM50101851 (3-{(1R,2S,3R)-3-Hydroxy-2-[(E)-(S)-3-hydroxy-4-(3-methoxymethyl-phenyl)-but-1-enyl]-5-oxo-cyclopentylsulfanyl}-propylsulfanyl)-acetic acid [ Show all ] |
Inchi Key | HPGFXJSSALETIS-UCWXVSLCSA-N |
Inchi ID | InChI=1S/C22H30O6S2/c1-28-13-16-5-2-4-15(10-16)11-17(23)6-7-18-19(24)12-20(25)22(18)30-9-3-8-29-14-21(26)27/h2,4-7,10,17-19,22-24H,3,8-9,11-14H2,1H3,(H,26,27)/b7-6+/t17-,18+,19-,22-/m1/s1 |
PubChem CID | 9846782 |
ChEMBL | CHEMBL293856 |
IUPHAR | N/A |
BindingDB | 50101851 |
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 |
---|---|---|---|---|---|
120657 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
120654 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
120656 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
120658 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
120655 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
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