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

CHEMBL496226

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
Cc1ccc(/C(=N/NC(N)=S)c2cc(Cl)cc(Cl)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL496226
Phase Preclinical
Structure Type MOL
InChI Key SWWHTWZROMUIHA-RGEXLXHISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.3
MW (Da)
3.89
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.51
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 C15H13Cl2N3S
MW 338.26
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.50

Activity Summary

EC50 1 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 4.52 4.52 30000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 30000.0 nM 4.52 Antimalarial activity as reduced parasitaemia after 72 hrs against chloroquine-s... 19447616

Literature References

PubMed DOI Target Context # Activities
19447616 10.1016/j.bmcl.2009.04.142 Plasmodium falciparum 4

Data from ChEMBL 36 via Core Engine