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Compound Detail

CHEMBL4448380

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CC(C)N(CC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4448380
Phase Preclinical
Structure Type MOL
InChI Key SEFZQCNXQNFPKL-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.4
MW (Da)
5.42
ALogP
3
HBA
1
HBD
36.4
PSA (Ų)
0.67
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22F6N2O
MW 408.39
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.75

Activity Summary

IC50 2 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.46 6.345 350.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 350.0 nM 6.46 Antimalarial activity against chloroquine/mefloquine-sensitive Plasmodium falcip... 27544402
Plasmodium falciparum IC50 = 590.0 nM 6.23 Antimalarial activity against trophozoite stage of Plasmodium falciparum 3D7 inf... 27544402

Literature References

PubMed DOI Target Context # Activities
27544402 10.1016/j.bmcl.2016.08.005 Plasmodium falciparum 3

Data from ChEMBL 36 via Core Engine