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

CHEMBL1958426

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
O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1958426
Phase Preclinical
Structure Type MOL
InChI Key BSYRTMXHPGHCGM-RUDMXATFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
2.90
ALogP
5
HBA
3
HBD
104.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13F3N2O5S
MW 402.35
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 6.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei
CHEMBL612849
 IC50 6.86 6.86 137.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma brucei IC50 = 137.0 nM 6.86 Antitrypanosomal activity against bloodstream Trypanosoma brucei 427 after 48 hr... 22326398

Literature References

PubMed DOI Target Context # Activities
22326398 10.1016/j.bmcl.2012.01.072 Trypanosoma brucei 2
22326398 10.1016/j.bmcl.2012.01.072 Histone deacetylase 1

Data from ChEMBL 36 via Core Engine