CHEMBL212699
SMILES | CNC[C@@H](Cc1ccccc1)N(C)C[C@H](Cc1ccc(O)cc1)N(C)C[C@@H](N)Cc1ccc(O)cc1 |
InChIKey | YFVWOMKVZLGFTF-IARZGTGTSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 14 |
Molecular weight (Da) | 490.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Rat | Opioid | A | pIC50 | 7.43 | 7.43 | 7.43 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 5.07 | 5.07 | 5.07 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 5.84 | 5.84 | 5.84 | ChEMBL |