Compound Detail
CHEMBL5431249
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Basic Information
| ChEMBL ID | CHEMBL5431249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBXNQGJWXRMWOT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
406.9
MW (Da)
5.57
ALogP
5
HBA
2
HBD
60.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.73 | 7.515 | 18.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 18.57 | nM | 7.73 | Antimalarial activity against Plasmodium falciparum Dd2 assessed as reduction in... | 37163950 |
| Plasmodium falciparum | IC50 | = | 50.23 | nM | 7.3 | Antiplasmodial activity against Plasmodium falciparum 3D7 assessed as inhibition... | 37163950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37163950 | 10.1016/j.ejmech.2023.115458 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine