CHEMBL124941
SMILES | CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)C1(NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCc2ccccc2C1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C |
InChIKey | WCJNWJPRBIKFOI-RKPARCAKSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 10 |
Rotatable bonds | 19 |
Molecular weight (Da) | 794.4 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 | 5.85 | 6.46 | 7.08 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Mouse | Opioid | A | pIC50 | 9.34 | 9.38 | 9.42 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pIC50 | 9.79 | 9.86 | 9.94 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 5.79 | 6.21 | 6.64 | ChEMBL |