Compound Detail
CHEMBL1644966
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Basic Information
| ChEMBL ID | CHEMBL1644966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXIJJAAUHPKVIX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
4.12
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 12000.0 | nM | 4.92 | Antiplasmodial activity against Plasmodium falciparum 3D7 infected in RBCs by fi... | 20547797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21126871 | 10.1016/j.bmcl.2010.11.029 | H4 | 1 |
| 20547797 | 10.1128/aac.00431-10 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine