CHEMBL3753293
SMILES | CCC(=O)N(CC1CCCCN1Cc1ccc2c(c1)CCC[C@@H]2O)c1ccccc1 |
InChIKey | MSWKQEUSFJHFAI-YNMFNDETSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 406.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 | 8.4 | 8.4 | 8.4 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 5.43 | 5.43 | 5.43 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Rat | Opioid | A | pIC50 | 8.16 | 8.16 | 8.16 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 5.11 | 5.11 | 5.11 | ChEMBL |