CHEMBL6058668 [464325]
CHEMBL6058668
| SMILES | Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1SCCN(CC[C@H](N)OC=O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O |
| InChIKey | UXROKPVSIKEZDR-NGMZVFJHSA-N |
Chemical Properties
| Hydrogen bond acceptors | 20 |
| Hydrogen bond donors | 7 |
| Rotatable bonds | 14 |
| Log P | -3.250 |
| Molecular weight (Da) | 652.2 |
| 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 |
CHEMBL6058668
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