CHEMBL2323576
SMILES | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(N)=O |
InChIKey | VJTRLNGWCWXROJ-KPPTUHEKSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 11 |
Rotatable bonds | 25 |
Molecular weight (Da) | 921.4 |
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 | 6.76 | 6.76 | 6.76 | 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 | pIC50 | 6.42 | 6.42 | 6.42 | ChEMBL |