Compound Detail
CHEMBL5426453
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Basic Information
| ChEMBL ID | CHEMBL5426453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXUAPCRNXPZMCY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
450.9
MW (Da)
3.68
ALogP
7
HBA
2
HBD
94.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 75.01 | nM | 7.12 | Antimalarial activity against CQ-resistant Plasmodium falciparum RKL-9 field iso... | 37542987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37163950 | 10.1016/j.ejmech.2023.115458 | Plasmodium falciparum | 1 |
| 37163950 | 10.1016/j.ejmech.2023.115458 | Vero | 1 |
| 37542987 | 10.1016/j.ejmech.2023.115699 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine