CHEMBL2163922
SMILES | C=C(C(N)=O)[C@@H](NC(=O)C(=C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1)c1ccccc1 |
InChIKey | ZKOITTBBWXMGMR-VZNYXHRGSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 5 |
Rotatable bonds | 12 |
Molecular weight (Da) | 595.3 |
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 | 4.96 | 4.96 | 4.96 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Mouse | Opioid | A | pIC50 | 6.78 | 6.78 | 6.78 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 7.35 | 7.35 | 7.35 | ChEMBL |