Compound Detail
CHEMBL1213462
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Basic Information
| ChEMBL ID | CHEMBL1213462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKIJNAAQJUFECL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
3.84
ALogP
3
HBA
0
HBD
27.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 1000.0 | nM | 6.0 | Antimicrobial activity against Trypanosoma cruzi | 20185316 |
| Plasmodium falciparum | IC50 | = | 2000.0 | nM | 5.7 | Antimicrobial activity against Plasmodium falciparum | 20185316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Trypanosoma cruzi | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Trypanosoma brucei | 1 |
Data from ChEMBL 36 via Core Engine