CHEMBL165910 [120288]
CHEMBL165910
| SMILES | CCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 |
| InChIKey | ITAQPDVKHQKIHR-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Log P | 3.306 |
| Molecular weight (Da) | 433.1 |
| Stereochemistry info | unspecified |
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 |
CHEMBL165910
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