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Compound Detail

CHEMBL5416547

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Basic Information

ChEMBL ID CHEMBL5416547
Phase Preclinical
Structure Type MOL
InChI Key JZQBAGOECGRTSA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

100.1
MW (Da)
-0.01
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C4H4O3
MW 100.07
Aromatic Rings 0
Heavy Atoms 7
NP-Likeness 1.98

Activity Summary

IC50 1 meas. best 5.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 5.31 5.31 4880.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 4880.0 nM 5.31 Antimalarial activity against asynchronous chloroquine-sensitive Plasmodium falc... 37054559

Literature References

PubMed DOI Target Context # Activities
37054559 10.1016/j.ejmech.2023.115340 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine