CHEMBL3752678
SMILES | CCC(=O)N(CC1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1ccccc1 |
InChIKey | HZHZYPWUASGOMR-NYIWYSSJSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 5 |
Rotatable bonds | 16 |
Molecular weight (Da) | 685.3 |
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 |
μ | OPRM | Rat | Opioid | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Mouse | Opioid | A | pIC50 | 8.15 | 8.15 | 8.15 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pIC50 | 8.49 | 8.49 | 8.49 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 8.31 | 8.31 | 8.31 | ChEMBL |