CHEMBL3351032 [234422]
CHEMBL3351032
| SMILES | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)[n+](Cc4ccc([N+](=O)[O-])cc4)cnc32)[C@H]([O-])[C@@H]1O |
| InChIKey | VVGNVEMXPYZOKP-QCUYGVNKSA-O |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 6 |
| Log P | -1.619 |
| Molecular weight (Da) | 443.2 |
| 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 |
CHEMBL3351032
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