CHEMBL1460053 [81445]
CHEMBL1460053
| SMILES | C=C(CO)CC1CC(O)[C@]2(C)OC3CC4OC5C[C@]6(C)O[C@]7(C)CCC8OC9C[C@]%10(C)OC%11C(C)=CC(=O)OC%11CC%10OC9C[C@@H](C)C8OC7CC6O[C@]5(C)C/C=C\C4OC3CC2O1 |
| InChIKey | BKMHDYJRAAJTAD-VPDXYFDSSA-N |
Chemical Properties
| Hydrogen bond acceptors | 14 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 3 |
| Log P | 5.266 |
| Molecular weight (Da) | 896.5 |
| Stereochemistry info | partial |
Database connections
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 |
CHEMBL1460053
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