CHEMBL517779
SMILES | NC(=O)c1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3 |
InChIKey | OUOLOWFYQLLGNP-BAGYTPMASA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 354.2 |
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 | 7.85 | 7.85 | 7.85 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 9.41 | 9.41 | 9.41 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.82 | 9.82 | 9.82 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 8.42 | 8.42 | 8.42 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 7.52 | 7.52 | 7.52 | ChEMBL |