CHEMBL2113311
SMILES | CO[C@@]12CC[C@@]3(C[C@@H]1CNC/C=C/c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 |
InChIKey | XYKPUZDBFYADTM-BNSXOKBISA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 472.3 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 7.41 | 7.41 | 7.41 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 8.18 | 8.18 | 8.18 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.41 | 9.41 | 9.41 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 8.75 | 8.75 | 8.75 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 7.58 | 7.92 | 8.26 | ChEMBL |