CHEMBL6913 [468892]
CHEMBL6913
| SMILES | CC(C)N[C@@H]1CCc2c(ccc(O)c2O)[C@H]1O |
| InChIKey | VYPNBBZHLGJXPR-ZYHUDNBSSA-N |
Chemical Properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 2 |
| Log P | 1.444 |
| Molecular weight (Da) | 237.1 |
| Stereochemistry info | full |
Database connections
| Structure pdb | 7XK9 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
CHEMBL6913
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Database connections
| Structure pdb | 7XK9 |