CHEMBL439026
SMILES | CCC(=O)N(c1ccccc1)C1CCN(C(=O)CCC(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1 |
InChIKey | LNTFQJPSSNUIAA-KUSJRIKGSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 7 |
Rotatable bonds | 17 |
Molecular weight (Da) | 784.4 |
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 | 8.24 | 8.24 | 8.24 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 8.49 | 8.49 | 8.49 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Mouse | Opioid | A | pIC50 | 6.6 | 6.6 | 6.6 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pEC50 | 7.62 | 7.62 | 7.63 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pIC50 | 7.92 | 7.92 | 7.92 | ChEMBL |
δ | OPRD | Human | Opioid | A | pEC50 | 6.82 | 6.82 | 6.82 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 8.18 | 8.18 | 8.18 | ChEMBL |