Compound Detail
CHEMBL259304
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O=[N+]([O-])c1cc2c(cc1CCc1sc(Nc3ccccc3)n[n+]1-c1ccccc1)OCO2.[Cl-]
Basic Information
| ChEMBL ID | CHEMBL259304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQYLRMGCCJGHEH-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1182666 |
| Active Moiety | CHEMBL1182666 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
4.59
ALogP
7
HBA
1
HBD
90.4
PSA (Ų)
0.25
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.39 | 4.39 | 40840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 40840.0 | nM | 4.39 | Antiparasitic activity against Trypanosoma cruzi Y epimastigote | 18226906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18226906 | 10.1016/j.bmc.2007.12.049 | Trypanosoma cruzi | 3 |
| 18226906 | 10.1016/j.bmc.2007.12.049 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine