CHEMBL313820
SMILES | NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |
InChIKey | RKLMJYJBGYXOFV-PEAQOHSKSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 6 |
Rotatable bonds | 13 |
Molecular weight (Da) | 624.3 |
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 |
μ | OPRM | Rat | Opioid | A | pKi | 7.17 | 8.32 | 9.48 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Rat | Opioid | A | pIC50 | 7.1 | 7.92 | 8.74 | ChEMBL |