CHEMBL2413112 [182627]
CHEMBL2413112
| SMILES | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O |
| InChIKey | SUIHHSFSJCVDHT-RQXXJAGISA-N |
Chemical Properties
| Hydrogen bond acceptors | 15 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 11 |
| Log P | 0.330 |
| Molecular weight (Da) | 542.2 |
| Stereochemistry info | partial |
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 |
CHEMBL2413112
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