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Compound Detail

CHEMBL468388

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Cc1[nH]c(C)c(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c(=O)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL468388
Phase Preclinical
Structure Type MOL
InChI Key LMHIUBWJLCYSAI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

393.8
MW (Da)
6.12
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.58
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 C20H15ClF3NO2
MW 393.79
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.72

Activity Summary

IC50 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 60.0 nM 7.22 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