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

CHEMBL3236708

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
CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)cnn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3236708
Phase Preclinical
Structure Type MOL
InChI Key GDYUSSFBUVJSFX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

437.3
MW (Da)
3.86
ALogP
5
HBA
1
HBD
92.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14Cl2N4O3S
MW 437.31
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.16

Activity Summary

IC50 1 meas. best 4.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NAD-dependent protein deacetylase sirtuin-2
CHEMBL4462
 IC50 4.79 4.79 16100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NAD-dependent protein deacetylase sirtuin-2 IC50 = 16100.0 nM 4.79 Inhibition of SIRT-2 (unknown origin) by fluorescence assay 24602787

Literature References

PubMed DOI Target Context # Activities
24602787 10.1016/j.ejmech.2014.02.003 NAD-dependent protein deacetylase sirtuin-1 4
24602787 10.1016/j.ejmech.2014.02.003 NAD-dependent protein deacetylase sirtuin-2 2
24602787 10.1016/j.ejmech.2014.02.003 NAD-dependent protein deacetylase sirtuin-3, mitochondrial 1

Data from ChEMBL 36 via Core Engine