Compound Detail
CHEMBL1830032
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Basic Information
| ChEMBL ID | CHEMBL1830032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOPJIYRZXKDRIM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
3.09
ALogP
4
HBA
1
HBD
65.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.55 | 8.37 | 2.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2.8 | nM | 8.55 | Antiplasmodial activity against chloroquine and pyrimethamine resistant Plasmodi... | 28988153 |
| Plasmodium falciparum | IC50 | = | 6.5 | nM | 8.19 | Antiplasmodial activity against chloroquine sensitive Plasmodium falciparum NF54... | 28988153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28988153 | 10.1016/j.ejmech.2017.09.040 | Plasmodium falciparum | 2 |
| 28988153 | 10.1016/j.ejmech.2017.09.040 | Unchecked | 1 |
| 28988153 | 10.1016/j.ejmech.2017.09.040 | L6 | 1 |
Data from ChEMBL 36 via Core Engine