Compound Detail
CHEMBL3819053
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Basic Information
| ChEMBL ID | CHEMBL3819053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUOPZXCUAGJJBW-GIJQJNRQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.10
ALogP
5
HBA
1
HBD
97.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 6.9 | 6.9 | 126.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.7 | 6.7 | 202.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.49 | 5.49 | 3260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 126.0 | nM | 6.9 | Trypanocidal activity against bloodstream form of Trypanosoma brucei 427 assesse... | - |
| Trypanosoma cruzi | IC50 | = | 202.0 | nM | 6.7 | Trypanocidal activity against epimastigote form of Trypanosoma cruzi CL Brener a... | - |
| L6 | IC50 | = | 3260.0 | nM | 5.49 | Cytotoxicity against rat L6 cells after 6 days by Alamar blue assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C6MD00035E | Trypanosoma brucei | 2 |
| - | 10.1039/C6MD00035E | Unchecked | 2 |
| - | 10.1039/C6MD00035E | Trypanosoma cruzi | 2 |
| - | 10.1039/C6MD00035E | L6 | 1 |
Data from ChEMBL 36 via Core Engine