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Compound Detail

CHEMBL482188

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Cc1cc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc2c(N)n[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL482188
Phase Preclinical
Structure Type MOL
InChI Key DKOFSMUNNKPPDR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.5
MW (Da)
3.20
ALogP
4
HBA
3
HBD
100.9
PSA (Ų)
0.67
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 C18H22N4O2S
MW 358.47
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK2
CHEMBL2971
 IC50 6.11 6.11 770.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase JAK2 IC50 = 770.0 nM 6.11 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