CHEMBL1253632
SMILES | NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |
InChIKey | HEVKQILECXRYNK-AMEOFWRWSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 5 |
Rotatable bonds | 13 |
Molecular weight (Da) | 585.3 |
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 | Rat | Opioid | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 7.24 | 7.41 | 7.57 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Mouse | Opioid | A | pIC50 | 5.89 | 5.89 | 5.89 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pEC50 | 6.07 | 6.07 | 6.07 | ChEMBL |