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Name | Sulprostone |
---|---|
Molecular formula | C23H31NO7S |
IUPAC name | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopentyl]-N-methylsulfonylhept-5-enamide |
Molecular weight | 465.561 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 1.5 |
Synonyms | Sulprostone [USAN:INN] ZK-57671 16-Phenoxy-omega-17,18,19,20-tetranor pge-2 methylsulfonylamide 5-Heptenamide, 7-(3-hydroxy-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-N-(methylsulfonyl)-, (1R-(1-alpha(Z),2-beta(1E,3R*),3-alpha))- AKOS024457401 [ Show all ] |
Inchi Key | UQZVCDCIMBLVNR-TWYODKAFSA-N |
Inchi ID | InChI=1S/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2-,14-13+/t17-,19-,20-,22-/m1/s1 |
PubChem CID | 5312153 |
ChEMBL | N/A |
IUPHAR | 1919 |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
554988 | Prostaglandin E2 receptor EP1 subtype | P35375 | Ptger1 | Mus musculus (Mouse) | 405 |
554990 | Prostaglandin E2 receptor EP1 subtype | P70597 | Ptger1 | Rattus norvegicus (Rat) | 405 |
554991 | Prostaglandin E2 receptor EP1 subtype | P34995 | PTGER1 | Homo sapiens (Human) | 402 |
554986 | Prostaglandin E2 receptor EP3 subtype | P34980 | Ptger3 | Rattus norvegicus (Rat) | 365 |
554987 | Prostaglandin E2 receptor EP3 subtype | P43115 | PTGER3 | Homo sapiens (Human) | 390 |
554992 | Prostaglandin E2 receptor EP3 subtype | P30557 | Ptger3 | Mus musculus (Mouse) | 365 |
554989 | Prostaglandin F2-alpha receptor | P43088 | PTGFR | Homo sapiens (Human) | 359 |
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