CHEMBL3797228
SMILES | C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cccc2ccccc12 |
InChIKey | ZBEAXZAFQYRZBS-YJIIWGRFSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 414.2 |
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 | Mouse | Opioid | A | pKd | 7.6 | 7.6 | 7.6 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 7.42 | 7.42 | 7.42 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Mouse | Opioid | A | pEC50 | 5.1 | 5.1 | 5.1 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 5.0 | 5.0 | 5.0 | ChEMBL |