CHEMBL242968
SMILES | NC(=O)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 |
InChIKey | HEUGOTHWUMOSSR-FBBABVLZSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 339.2 |
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 | 7.64 | 7.64 | 7.64 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 9.21 | 9.21 | 9.21 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.85 | 8.85 | 8.85 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 7.48 | 7.48 | 7.48 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 6.42 | 6.42 | 6.42 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 7.51 | 7.51 | 7.51 | ChEMBL |