CHEMBL1077832 [20001]
CHEMBL1077832
| SMILES | CCOc1ccc(-n2c([C@@H](C)N(Cc3ccc[n+]([O-])c3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1 |
| InChIKey | DMBGCHREERYYSP-OAQYLSRUSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 10 |
| Log P | 5.044 |
| Molecular weight (Da) | 619.2 |
| 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 |
CHEMBL1077832
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