Chembl472410
Chemical Properties
| SMILES | C=CCO[C@@]12CC[C@@H](NC(=O)/C=C/c3ccccc3)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5 |
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Molecular weight | 512.3 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | GICDOVUDOFRTQS-PGVSONQQSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| μ | OPRM | Rat | Opioid | A | pEC50 | 9.22 | 9.22 | 9.22 | ChEMBL |
| μ | OPRM | Rat | Opioid | A | pKi | 9.6 | 9.6 | 9.6 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pEC50 | 10.1 | 10.1 | 10.1 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 9.92 | 9.92 | 9.92 | ChEMBL |