Compound Detail
CHEMBL405944
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Basic Information
| ChEMBL ID | CHEMBL405944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJPPYXUCKJBZIR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
2.33
ALogP
6
HBA
0
HBD
74.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.45 | 8.45 | 3.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3.52 | nM | 8.45 | Antimalarial activity against Plasmodium falciparum 3D7 | 18341274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18341274 | 10.1021/jm701435h | ADMET | 7 |
| 18341274 | 10.1021/jm701435h | Salmonella typhimurium | 4 |
| 18341274 | 10.1021/jm701435h | Plasmodium falciparum | 1 |
| 18341274 | 10.1021/jm701435h | Plasmodium berghei | 1 |
| 18341274 | 10.1021/jm701435h | L6 | 1 |
| 18341274 | 10.1021/jm701435h | MRC5 | 1 |
| 18341274 | 10.1021/jm701435h | Vero | 1 |
Data from ChEMBL 36 via Core Engine