Compound Detail
CHEMBL5560017
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5560017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQFINTQNLTUOMG-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
423.9
MW (Da)
5.11
ALogP
7
HBA
2
HBD
80.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.96 | 6.7067 | 110.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 110.0 | nM | 6.96 | Antiplasmodial activity against sorbitol-synchronized ring stage chloroquine sen... | 38290351 |
| Plasmodium falciparum | IC50 | = | 120.0 | nM | 6.92 | Antiplasmodial activity against sorbitol-synchronized ring stage MMV848 resistan... | 38290351 |
| Plasmodium falciparum | IC50 | = | 200.0 | nM | 6.7 | Antiplasmodial activity against sorbitol-synchronized ring stage atovaquone resi... | 38290351 |
| Plasmodium falciparum | IC50 | = | 230.0 | nM | 6.64 | Antiplasmodial activity against sorbitol-synchronized ring stage 2-(1,1-difluoro... | 38290351 |
| Plasmodium falciparum | IC50 | = | 300.0 | nM | 6.52 | Antiplasmodial activity against sorbitol-synchronized ring stage chloroquine res... | 38290351 |
| Plasmodium falciparum | IC50 | = | 320.0 | nM | 6.5 | Antiplasmodial activity against sorbitol-synchronized ring stage chloroquine, me... | 38290351 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38290351 | 10.1016/j.ejmech.2024.116163 | Plasmodium falciparum | 11 |
| 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 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine