Compound Detail
CHEMBL141749
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Basic Information
| ChEMBL ID | CHEMBL141749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQBFSNVYXXXQLY-QHHAFSJGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
276.2
MW (Da)
3.27
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.8 | 4.75 | 16000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of [3H]hypoxanthine incorporation in Plasmodium falciparum K1 | 11728189 |
| Plasmodium falciparum | IC50 | = | 20000.0 | nM | 4.7 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 by ... | 17112640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11728189 | 10.1021/jm0101747 | Mus musculus | 2 |
| 11728189 | 10.1021/jm0101747 | Plasmodium falciparum | 1 |
| 11728189 | 10.1021/jm0101747 | Unchecked | 1 |
| 17112640 | 10.1016/j.ejmech.2006.09.019 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine