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Name | CHEMBL64188 |
---|---|
Molecular formula | C19H32O5S |
IUPAC name | 2-[4-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]butylsulfanyl]acetic acid |
Molecular weight | 372.52 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 2.7 |
Synonyms | BDBM50101860 {(S)-4-[(R)-3-Hydroxy-2-((1R,2R)-3-hydroxy-oct-1-enyl)-5-oxo-cyclopentyl]-butylsulfanyl}-acetic acid (11R,13E,15S)-9-Oxo-11,15-dihydroxy-3-thiaprosta-13-ene-1-oic acid |
Inchi Key | HZBQZRYBXKBYMJ-OMNKJVMTSA-N |
Inchi ID | InChI=1S/C19H32O5S/c1-2-3-4-7-14(20)9-10-16-15(17(21)12-18(16)22)8-5-6-11-25-13-19(23)24/h9-10,14-16,18,20,22H,2-8,11-13H2,1H3,(H,23,24)/b10-9+/t14-,15+,16+,18+/m0/s1 |
PubChem CID | 44304389 |
ChEMBL | CHEMBL64188 |
IUPHAR | N/A |
BindingDB | 50101860 |
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 |
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127545 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
127544 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
127543 | Prostaglandin E2 receptor EP2 subtype | Q62053 | Ptger2 | Mus musculus (Mouse) | 362 |
127542 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
127541 | Prostaglandin E2 receptor EP4 subtype | P32240 | Ptger4 | Mus musculus (Mouse) | 513 |
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