asimadoline
SMILES | O[C@H]1CCN(C1)C[C@@H](N(C(=O)C(c1ccccc1)c1ccccc1)C)c1ccccc1 |
InChIKey | JHLHNYVMZCADTC-LOSJGSFVSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 414.2 |
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 |
κ | OPRK | Guinea pig | Opioid | A | pKi | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |
κ | OPRK | Guinea pig | Opioid | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 5.1 | 5.1 | 5.1 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 9.3 | 9.3 | 9.3 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 4.22 | 4.22 | 4.22 | ChEMBL |