sulprostone
SMILES | O=C(NS(=O)(=O)C)CCC/C=C\C[C@H]1C(=O)C[C@H]([C@@H]1/C=C/[C@H](COc1ccccc1)O)O |
InChIKey | UQZVCDCIMBLVNR-TWYODKAFSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 12 |
Molecular weight (Da) | 465.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP1 | PE2R1 | Human | Prostanoid | A | pKi | 6.9 | 6.95 | 7.0 | Guide to Pharmacology |
EP3 | PE2R3 | Human | Prostanoid | A | pKi | 9.46 | 9.46 | 9.46 | Guide to Pharmacology |
FP | PF2R | Human | Prostanoid | A | pKi | 6.7 | 6.7 | 6.7 | Guide to Pharmacology |
EP1 | PE2R1 | Mouse | Prostanoid | A | pKi | 7.7 | 7.7 | 7.7 | Guide to Pharmacology |
EP3 | PE2R3 | Rat | Prostanoid | A | pKi | 9.15 | 9.15 | 9.15 | Guide to Pharmacology |
EP3 | PE2R3 | Mouse | Prostanoid | A | pKi | 9.2 | 9.2 | 9.2 | Guide to Pharmacology |
EP1 | PE2R1 | Rat | Prostanoid | A | pKi | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP3 | PE2R3 | Human | Prostanoid | A | pEC50 | 8.85 | 8.85 | 8.85 | Guide to Pharmacology |
EP3 | PE2R3 | Rat | Prostanoid | A | pEC50 | 9.38 | 9.38 | 9.38 | Guide to Pharmacology |