Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3234082

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4ccc(C(F)(F)F)cc4)nn23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3234082
Phase Preclinical
Structure Type MOL
InChI Key DNKIBXKZNJLLJE-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

417.4
MW (Da)
4.49
ALogP
5
HBA
0
HBD
64.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14F3N3O2S
MW 417.41
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.79

Activity Summary

IC50 2 meas. best 6.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.87 6.795 134.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 134.0 nM 6.87 Antimalarial activity against multidrug-resistant Plasmodium falciparum K1 24568587
Plasmodium falciparum IC50 = 189.0 nM 6.72 Antimalarial activity against drug-sensitive Plasmodium falciparum NF54 24568587

Literature References

PubMed DOI Target Context # Activities
24568587 10.1021/jm500098s Plasmodium falciparum 2
24568587 10.1021/jm500098s No relevant target 1

Data from ChEMBL 36 via Core Engine