CHEMBL5400535
| SMILES | Cc1ccc(C(CNC(=O)c2cc3ccccc3s2)N(C)C)cc1 |
| InChIKey | SSUQJWNLIQTLAA-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 338.1 |
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 |
| NOP | OPRX | Human | Opioid | A | pKi | 6.19 | 6.19 | 6.19 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 9.52 | 9.52 | 9.52 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NOP | OPRX | Human | Opioid | A | pEC50 | 4.35 | 6.0 | 7.66 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pEC50 | 8.67 | 8.67 | 8.67 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pEC50 | 5.09 | 7.42 | 9.64 | ChEMBL |