Compound Detail
CHEMBL189840
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Basic Information
| ChEMBL ID | CHEMBL189840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSQTYHIYRFYQOA-UHFFFAOYSA-O |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
302.2
MW (Da)
4.61
ALogP
0
HBA
1
HBD
19.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.89 | 4.73 | 12910.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 12910.0 | nM | 4.89 | Normalized IC50 as product of antiplasmodial IC50 and vacuolar accumulation IC50 | 15801861 |
| Plasmodium falciparum | IC50 | = | 27000.0 | nM | 4.57 | In vitro antiplasmodial activity for Plasmodium falciparum | 15801861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15801861 | 10.1021/jm040893w | Plasmodium falciparum | 3 |
| 15801861 | 10.1021/jm040893w | No relevant target | 1 |
| 15801861 | 10.1021/jm040893w | MAC15A | 1 |
| 15801861 | 10.1021/jm040893w | Histidine-rich protein PFHRP-II | 1 |
Data from ChEMBL 36 via Core Engine