CHEMBL114825
| SMILES | CNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)OCc3cc4c(cc3Cl)OCO4)CC2)C1=O |
| InChIKey | MGQWBNMDNGXQQY-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 514.2 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D5 | DRD5 | Human | Dopamine | A | pIC50 | 5.44 | 5.44 | 5.44 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pIC50 | 5.75 | 5.75 | 5.75 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pIC50 | 6.48 | 6.48 | 6.48 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pIC50 | 6.75 | 6.75 | 6.75 | ChEMBL |