CHEMBL473699
SMILES | Cc1nc2cc3c(cc2[nH]1)[C@@]1(C)CCN(CC2CC2)C(C3)[C@@H]1C |
InChIKey | PVOGJENIZFDIAO-BFKPJKFSSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 309.2 |
Drug properties
Molecular type | Small molecule |
Physiological/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 | 7.75 | 7.75 | 7.75 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 10.3 | 10.3 | 10.3 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.11 | 9.11 | 9.11 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 8.24 | 8.24 | 8.24 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 7.75 | 7.75 | 7.75 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 4.96 | 4.96 | 4.96 | ChEMBL |