Compound Detail
CHEMBL5557769
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Basic Information
| ChEMBL ID | CHEMBL5557769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIEZDUFRIFCAQD-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
437.0
MW (Da)
6.02
ALogP
6
HBA
2
HBD
67.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.7 | 7.385 | 20.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 20.0 | nM | 7.7 | Antiplasmodial activity against sorbitol-synchronized ring stage MMV848 resistan... | 38290351 |
| Plasmodium falciparum | IC50 | = | 38.0 | nM | 7.42 | Antiplasmodial activity against sorbitol-synchronized ring stage chloroquine, me... | 38290351 |
| Plasmodium falciparum | IC50 | = | 40.0 | nM | 7.4 | Antiplasmodial activity against sorbitol-synchronized ring stage atovaquone resi... | 38290351 |
| Plasmodium falciparum | IC50 | = | 46.0 | nM | 7.34 | Antiplasmodial activity against sorbitol-synchronized ring stage chloroquine sen... | 38290351 |
| Plasmodium falciparum | IC50 | = | 50.0 | nM | 7.3 | Antiplasmodial activity against sorbitol-synchronized ring stage 2-(1,1-difluoro... | 38290351 |
| Plasmodium falciparum | IC50 | = | 71.0 | nM | 7.15 | Antiplasmodial activity against sorbitol-synchronized ring stage chloroquine res... | 38290351 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38290351 | 10.1016/j.ejmech.2024.116163 | Plasmodium falciparum | 15 |
| 38290351 | 10.1016/j.ejmech.2024.116163 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 2 |
| 38290351 | 10.1016/j.ejmech.2024.116163 | HepG2 | 1 |
| 38290351 | 10.1016/j.ejmech.2024.116163 | ADMET | 1 |
| 38290351 | 10.1016/j.ejmech.2024.116163 | Unchecked | 1 |
| 38290351 | 10.1016/j.ejmech.2024.116163 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine