CHEMBL2092794 [159437]
CHEMBL2092794
| SMILES | Nc1nc(SCCc2ccc([N+](=O)[O-])cc2)nc2c1ncn2[C@@H]1O[C@H](COP(O)(=S)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O |
| InChIKey | YSQRYAZUQNPOFW-PUNGSVFMSA-N |
Chemical Properties
| Hydrogen bond acceptors | 17 |
| Hydrogen bond donors | 7 |
| Rotatable bonds | 13 |
| Log P | 0.730 |
| Molecular weight (Da) | 704.0 |
| 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 |
CHEMBL2092794
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