CHEMBL4779988
SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O |
InChIKey | VEGQLNMUJOVTKQ-AECWIZBESA-N |
Chemical properties
Hydrogen bond acceptors | 15 |
Hydrogen bond donors | 18 |
Rotatable bonds | 39 |
Molecular weight (Da) | 1246.7 |
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 | 5.66 | 5.66 | 5.66 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 7.07 | 7.07 | 7.07 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.09 | 6.09 | 6.09 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pIC50 | 5.31 | 5.31 | 5.31 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 6.8 | 6.8 | 6.8 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 5.79 | 5.79 | 5.79 | ChEMBL |