Compound Detail
CHEMBL411646
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Basic Information
| ChEMBL ID | CHEMBL411646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVUSZFGMSULZQQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
3.18
ALogP
6
HBA
0
HBD
66.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.28 | 8.28 | 5.2 | 2 |
| Plasmodium berghei CHEMBL612653 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium berghei | IC50 | = | 5.2 | nM | 8.28 | Antimalarial activity against Plasmodium berghei | 18341274 |
| Plasmodium falciparum | IC50 | = | 5.2 | nM | 8.28 | Antimalarial activity against Plasmodium falciparum 3D7 assessed as inhibition o... | 21888440 |
| Plasmodium falciparum | IC50 | = | 5.2 | nM | 8.28 | Antimalarial activity against Plasmodium falciparum 3D7 | 33508479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18341274 | 10.1021/jm701435h | Salmonella typhimurium | 4 |
| 33508479 | 10.1016/j.ejmech.2021.113193 | Plasmodium berghei | 3 |
| 18341274 | 10.1021/jm701435h | Plasmodium berghei | 2 |
| 21888440 | 10.1021/jm200768h | Unchecked | 1 |
| 21888440 | 10.1021/jm200768h | Plasmodium falciparum | 1 |
| 33508479 | 10.1016/j.ejmech.2021.113193 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine