CHEMBL263918
| SMILES | CCC(C)(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 |
| InChIKey | WFVCETXISNWHQS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 396.2 |
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 |
| NOP | OPRX | Human | Opioid | A | pIC50 | 8.92 | 9.05 | 9.18 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pIC50 | 6.77 | 6.77 | 6.77 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pIC50 | 5.55 | 5.55 | 5.55 | ChEMBL |