Compound Detail
CHEMBL2042001
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Basic Information
| ChEMBL ID | CHEMBL2042001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZGVCLHFJHUBLQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
2.99
ALogP
5
HBA
1
HBD
86.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.95 | 5.95 | 1120.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1130.0 | nM | 5.95 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum NF54 a... | 22390538 |
| Plasmodium falciparum | IC50 | = | 1120.0 | nM | 5.95 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 aft... | 22390538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22390538 | 10.1021/jm3001373 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine