CHEMBL2086768 [159066]
CHEMBL2086768
| SMILES | BP(=O)(OP(=O)(O)OC[C@H]1O[C@@H](n2cc(OC)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](n2cc(OC)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O |
| InChIKey | YNTLSUREFVNQIU-WATVCZEXSA-N |
Chemical Properties
| Hydrogen bond acceptors | 21 |
| Hydrogen bond donors | 8 |
| Rotatable bonds | 14 |
| Log P | -4.649 |
| Molecular weight (Da) | 766.1 |
| 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 |
CHEMBL2086768
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