Compound Detail
CHEMBL469011
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Basic Information
| ChEMBL ID | CHEMBL469011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPCLQACEIMYBGP-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
393.8
MW (Da)
6.12
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.6 | 7.485 | 2.5 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2.5 | nM | 8.6 | Antimalarial activity against Plasmodium falciparum FCR3-A infected erythrocytes... | 18396855 |
| Plasmodium falciparum | IC50 | = | 5.0 | nM | 8.3 | Antimalarial activity against Plasmodium falciparum 3D7A infected erythrocytes b... | 18396855 |
| Plasmodium falciparum | IC50 | = | 30.0 | nM | 7.52 | Antimalarial activity against Plasmodium falciparum T9-96 infected Rhesus positi... | 18396855 |
| Plasmodium falciparum | IC50 | = | 3000.0 | nM | 5.52 | Antimalarial activity against Plasmodium falciparum infected in A-positive human... | 21824778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18396855 | 10.1021/jm0705760 | Plasmodium falciparum | 3 |
| 18396855 | 10.1021/jm0705760 | Plasmodium yoelii | 2 |
| 21824778 | 10.1016/j.bmcl.2011.07.044 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine