CHEMBL246003
| SMILES | COc1c(O)ccc2c1[C@]13CCN(C)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3 |
| InChIKey | NGVIJPSZRGAUGY-AGILITTLSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 1 |
| Molecular weight (Da) | 390.2 |
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 | Rat | Opioid | A | pKi | 6.32 | 6.32 | 6.32 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 8.35 | 8.35 | 8.35 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 6.24 | 6.24 | 6.24 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 6.32 | 6.32 | 6.32 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |