CHEMBL2112840
SMILES | O=C(O)[C@@H]1O[C@@H](O[C@H]2C=C[C@H]3[C@H]4Cc5ccc(O)c6c5C3(CCN4CC3CC3)[C@H]2O6)[C@@H](O)[C@@H](O)[C@@H]1O |
InChIKey | VRSIBZDHLAJGET-INFGNQIUSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 5 |
Rotatable bonds | 5 |
Molecular weight (Da) | 501.2 |
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 | 8.46 | 9.34 | 10.22 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |