CHEMBL467057
| SMILES | CCN1CCN(c2cc3[nH]c(S[C@]4(C)CC[C@@H](N(C)C(C)=O)CC4)nc3cc2Cl)CC1 |
| InChIKey | XDEIWEDXCSPRJV-QBNMFFNISA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 463.2 |
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 | 8.89 | 9.02 | 9.09 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pIC50 | 6.8 | 6.8 | 6.8 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pIC50 | 6.08 | 6.08 | 6.08 | ChEMBL |