CHEMBL4083221
SMILES | NC(=O)[C@@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N1 |
InChIKey | YBKVGOBLICBMNQ-YUDMECHNSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 7 |
Rotatable bonds | 7 |
Molecular weight (Da) | 649.3 |
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 | 6.05 | 6.05 | 6.05 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.34 | 9.34 | 9.34 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 7.07 | 7.07 | 7.07 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |