CHEMBL3401556
| SMILES | CN(C)c1ccc2cc(C(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)ncc2c1 |
| InChIKey | RKYIVQNLDQEZRZ-VWUFSNCOSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 540.3 |
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 |
| κ | OPRK | Mouse | Opioid | A | pKi | 7.06 | 7.06 | 7.06 | ChEMBL |
| μ | OPRM | Mouse | Opioid | A | pKi | 8.36 | 8.36 | 8.36 | ChEMBL |
| δ | OPRD | Mouse | Opioid | A | pKi | 7.16 | 7.16 | 7.16 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| μ | OPRM | Mouse | Opioid | A | pEC50 | 8.33 | 8.33 | 8.33 | ChEMBL |