CHEMBL398588 [310264]
CHEMBL398588
| SMILES | CCOC(=O)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1 |
| InChIKey | QOUQHQPJIVDJRV-AJKMGBEJSA-N |
Chemical Properties
| Hydrogen bond acceptors | 14 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 7 |
| Log P | -0.651 |
| Molecular weight (Da) | 475.2 |
| Stereochemistry info | full |
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 |
CHEMBL398588
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