Chembl3634396
Chemical Properties
| SMILES | COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]2[C@@H](N3CCCC3)CCC[C@H]21 |
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 3 |
| Molecular weight | 453.2 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | PAVYSOUZQLFNIW-ZVDOUQERSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 7.24 | 7.24 | 7.24 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 5.92 | 5.92 | 5.92 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pEC50 | 6.46 | 6.46 | 6.46 | ChEMBL |