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Compound Detail

CHEMBL468199

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Cc1cc(=O)c(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c(C)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL468199
Phase Preclinical
Structure Type MOL
InChI Key RYOIPOKPCFXUKG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
5.47
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.67
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16F3NO2
MW 359.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.72

Activity Summary

IC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 500.0 nM 6.3 Antimalarial activity against Plasmodium falciparum T9-96 infected Rhesus positi... 18396855

Literature References

PubMed DOI Target Context # Activities
18396855 10.1021/jm0705760 Plasmodium falciparum 1
18396855 10.1021/jm0705760 Plasmodium yoelii 1

Data from ChEMBL 36 via Core Engine