CHEMBL5868689 [426807]
CHEMBL5868689
| SMILES | Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CCCN(CC[C@H](N)OC=O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O |
| InChIKey | YIJXYCDFKPOFDU-ZTGXRXGFSA-N |
Chemical Properties
| Hydrogen bond acceptors | 19 |
| Hydrogen bond donors | 7 |
| Rotatable bonds | 14 |
| Log P | -3.410 |
| Molecular weight (Da) | 634.3 |
| 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 |
CHEMBL5868689
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