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Compound Detail

CHEMBL217565

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Cc1cc(C)c(NC(=O)c2sc(NC(=O)c3ccsc3)nc2C)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL217565
Phase Preclinical
Structure Type MOL
InChI Key ZQOGVDDCKJSIMQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
4.94
ALogP
5
HBA
2
HBD
71.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N3O2S2
MW 385.51
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.48

Activity Summary

IC50 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase Lck
CHEMBL258
 IC50 6.75 6.75 180.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase Lck IC50 = 180.0 nM 6.75 Inhibition of human Lck in presence of ATP 17154512

Literature References

PubMed DOI Target Context # Activities
17154512 10.1021/jm060727j Tyrosine-protein kinase Lck 1

Data from ChEMBL 36 via Core Engine