CHEMBL4074931
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)N2CCCC[C@H]2C(=O)N1 |
InChIKey | ITBMGSDEHHUOLN-IXSXPGEMSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 7 |
Rotatable bonds | 7 |
Molecular weight (Da) | 663.3 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.17 | 5.17 | 5.17 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.5 | 8.5 | 8.5 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |