BREMAZOCINE
| SMILES | CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc31)C2(C)C |
| InChIKey | ZDXGFIXMPOUDFF-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 315.2 |
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 |
| κ | OPRK | Human | Opioid | A | pKi | 10.4 | 10.4 | 10.4 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 8.85 | 9.19 | 9.7 | PDSP Ki database |
| δ | OPRD | Human | Opioid | A | pKi | 8.64 | 8.88 | 9.05 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 10.1 | 10.31 | 10.52 | PDSP Ki database |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 10.0 | 10.0 | 10.0 | PDSP Ki database |
| δ | A0A286XTF2 | Guinea pig | Opioid | A | pKi | 9.52 | 9.52 | 9.52 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| μ | OPRM | Bovine | Opioid | A | pIC50 | 9.3 | 9.3 | 9.3 | ChEMBL |
| κ | OPRK | Guinea pig | Opioid | A | pIC50 | 8.92 | 8.92 | 8.92 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pIC50 | 8.82 | 8.82 | 8.82 | ChEMBL |