Compound Detail
CHEMBL456042
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Basic Information
| ChEMBL ID | CHEMBL456042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMFXCVWHDLLJSX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
461.1
MW (Da)
5.54
ALogP
5
HBA
0
HBD
13.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.92 | 6.56 | 120.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 120.0 | nM | 6.92 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum D10 | 20466465 |
| Plasmodium falciparum | IC50 | = | 420.0 | nM | 6.38 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 | 18395298 |
| Plasmodium falciparum | IC50 | = | 420.0 | nM | 6.38 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 | 20466465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20466465 | 10.1016/j.ejmech.2010.04.011 | Plasmodium falciparum | 2 |
| 18395298 | 10.1016/j.ejmech.2008.02.005 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine