Compound Detail
CHEMBL5176098
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Basic Information
| ChEMBL ID | CHEMBL5176098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGPUEWMLZBUURB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
5.41
ALogP
4
HBA
1
HBD
39.7
PSA (Ų)
0.72
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.71 | 7.71 | 19.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 19.6 | nM | 7.71 | Antimalarial activity against chloroquine sensitive Plasmodium falciparum 3D7 in... | 33131885 |
| Plasmodium falciparum | IC50 | = | 19.6 | nM | 7.71 | Antimalarial activity against Plasmodium falciparum 3D7 | 33508479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33131885 | 10.1016/j.ejmech.2020.112955 | Plasmodium falciparum | 1 |
| 33508479 | 10.1016/j.ejmech.2021.113193 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine