CHEMBL5806709
| SMILES | COCCN1C(=O)N(c2ccnc(C#N)n2)C[C@]12CC[C@](c1ccccc1)(N(C)C)CC2 |
| InChIKey | VPKIYMXYOVXPKQ-PSWAGMNNSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 434.2 |
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 |
| μ | OPRM | Human | Opioid | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
| NOP | OPRX | Human | Opioid | A | pKi | 7.86 | 7.86 | 7.86 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |