Compound Detail
CHEMBL563240
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Basic Information
| ChEMBL ID | CHEMBL563240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSTQDTRLSNWQRP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
4.57
ALogP
4
HBA
4
HBD
118.2
PSA (Ų)
0.24
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.26 | 7.26 | 55.1 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.49 | 6.49 | 325.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.16 | 4.16 | 68800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 55.1 | nM | 7.26 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 | 19409677 |
| Trypanosoma brucei rhodesiense | IC50 | = | 325.0 | nM | 6.49 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 19409677 |
| L6 | IC50 | = | 68800.0 | nM | 4.16 | Cytotoxicity against rat L6 cells | 19409677 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19409677 | 10.1016/j.ejmech.2009.03.014 | Trypanosoma brucei rhodesiense | 3 |
| 19409677 | 10.1016/j.ejmech.2009.03.014 | Unchecked | 2 |
| 19409677 | 10.1016/j.ejmech.2009.03.014 | Plasmodium falciparum | 1 |
| 19409677 | 10.1016/j.ejmech.2009.03.014 | L6 | 1 |
Data from ChEMBL 36 via Core Engine