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

CHEMBL2041983

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(-c2cnc(N)c(-c3ccnc(C(F)(F)F)c3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2041983
Phase Preclinical
Structure Type MOL
InChI Key IEJRGOMPDLFNEO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
3.82
ALogP
5
HBA
1
HBD
85.9
PSA (Ų)
0.73
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 C18H14F3N3O2S
MW 393.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.91

Activity Summary

IC50 2 meas. best 6.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.81 6.775 155.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 155.0 nM 6.81 Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 aft... 22390538
Plasmodium falciparum IC50 = 181.0 nM 6.74 Antimalarial activity against chloroquine-sensitive Plasmodium falciparum NF54 a... 22390538

Literature References

PubMed DOI Target Context # Activities
22390538 10.1021/jm3001373 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine