CHEMBL3139097
SMILES | CCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 |
InChIKey | FGRGPYXAESBTNI-UBFVSLLYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 1 |
Molecular weight (Da) | 386.2 |
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 |
μ | OPRM | Mouse | Opioid | A | pKi | 7.27 | 7.27 | 7.27 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pKi | 9.85 | 9.85 | 9.85 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 7.23 | 7.23 | 7.23 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 8.96 | 8.96 | 8.96 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 6.97 | 6.97 | 6.97 | ChEMBL |