Compound Detail
CHEMBL576469
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Basic Information
| ChEMBL ID | CHEMBL576469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGKWIPJMQHYKTO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
464.7
MW (Da)
6.89
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.15 | 6.15 | 710.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 710.0 | nM | 6.15 | Antiplasmodial activity against chloroquine and pyrimethamine-resistant Plasmodi... | 19879671 |
| Trypanosoma brucei rhodesiense | IC50 | = | 1200.0 | nM | 5.92 | Antiplasmodial activity against Trypanosoma brucei rhodesiense STIB 900 by micro... | 19879671 |
| L6 | IC50 | = | 8400.0 | nM | 5.08 | Cytotoxicity against rat L6 cells | 19879671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19879671 | 10.1016/j.ejmech.2009.09.040 | Unchecked | 2 |
| 19879671 | 10.1016/j.ejmech.2009.09.040 | Plasmodium falciparum | 1 |
| 19879671 | 10.1016/j.ejmech.2009.09.040 | Trypanosoma brucei rhodesiense | 1 |
| 19879671 | 10.1016/j.ejmech.2009.09.040 | L6 | 1 |
Data from ChEMBL 36 via Core Engine