CHEMBL238316
SMILES | NC(=O)c1ccc(Oc2ccc(CNCc3ccccc3)cc2)nc1 |
InChIKey | LUBVSQAMVPXMBJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 333.1 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 7.27 | 7.41 | 7.56 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 8.61 | 8.68 | 8.75 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.39 | 8.5 | 8.61 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 7.27 | 7.27 | 7.27 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 8.61 | 8.61 | 8.61 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 8.39 | 8.39 | 8.39 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |