Compound Detail
CHEMBL4453087
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O=[N+]([O-])c1ccc(-c2[nH]c3ccccc3c2/C=N/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(O)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4453087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBUPGMABSYPWQE-IANKRSNASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
576.6
MW (Da)
6.81
ALogP
9
HBA
2
HBD
151.9
PSA (Ų)
0.12
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei gambiense CHEMBL613768 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei gambiense | IC50 | = | 1500.0 | nM | 5.82 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei gambien... | 31051403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31051403 | 10.1016/j.ejmech.2019.04.052 | Trypanosoma brucei gambiense | 1 |
Data from ChEMBL 36 via Core Engine