CHEMBL169346
SMILES | CC[C@@]12CCN(CC3CC3)C(C(=O)c3ccc(N)cc31)[C@@H]2C |
InChIKey | VPXQAIQQOWVVPG-BKBNBNODSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 298.2 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 7.09 | 7.5 | 8.12 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 7.04 | 8.49 | 9.47 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 8.36 | 8.46 | 8.55 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 7.04 | 7.12 | 7.21 | ChEMBL |