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Compound Detail

CHEMBL482187

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CC(C)(C)NS(=O)(=O)c1ccc(-c2cc(Cl)c3[nH]nc(N)c3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL482187
Phase Preclinical
Structure Type MOL
InChI Key VCEXCUAUEUWDED-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.9
MW (Da)
3.54
ALogP
4
HBA
3
HBD
100.9
PSA (Ų)
0.65
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 C17H19ClN4O2S
MW 378.89
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.21

Activity Summary

IC50 1 meas. best 5.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK2
CHEMBL2971
 IC50 5.91 5.91 1220.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase JAK2 IC50 = 1220.0 nM 5.91 Inhibition of JAK2 19019674

Literature References

PubMed DOI Target Context # Activities
19019674 10.1016/j.bmcl.2008.08.064 Tyrosine-protein kinase JAK2 1

Data from ChEMBL 36 via Core Engine