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Compound Detail

CHEMBL2030059

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Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)n(O)c2cc(Cl)ccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2030059
Phase Preclinical
Structure Type MOL
InChI Key HKWUIIFBRXPGIO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

459.9
MW (Da)
6.36
ALogP
4
HBA
1
HBD
51.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H17ClF3NO3
MW 459.85
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.52

Activity Summary

IC50 1 meas. best 6.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.83 6.83 149.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 149.0 nM 6.83 Antimalarial activity against blood stage forms of Plasmodium falciparum 3D7 22364416

Literature References

PubMed DOI Target Context # Activities
22364416 10.1021/jm201179h Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine