picrotoxinin
SMILES | CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1([C@]3([C@@H]2OC(=O)[C@]23[C@@H](C1)O2)C)O |
InChIKey | PIMZUZSSNYHVCU-YKWPQBAZSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 1 |
Molecular weight (Da) | 292.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCK2 | GASR | Rat | Cholecystokinin | A | pKi | 9.24 | 9.24 | 9.24 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCK1 | CCKAR | Human | Cholecystokinin | A | pIC50 | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
CCK1 | CCKAR | Rat | Cholecystokinin | A | pIC50 | 9.7 | 9.7 | 9.7 | Guide to Pharmacology |
CCK1 | CCKAR | Human | Cholecystokinin | A | pIC50 | 9.25 | 9.25 | 9.25 | ChEMBL |