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Compound Detail

CHEMBL67258

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Cc1cccc(Br)c1NC(=O)c1ccc2nc(NC(=O)OC(C)(C)C)sc2c1

Basic Information

ChEMBL ID CHEMBL67258
Phase Preclinical
Structure Type MOL
InChI Key XGZJLLOOPYLXLS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.4
MW (Da)
5.97
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.50
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20BrN3O3S
MW 462.37
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.93

Activity Summary

IC50 1 meas. best 5.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase Lck
CHEMBL258
IC50 5.37 5.37 4270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12798323 10.1016/s0960-894x(03)00380-9 Tyrosine-protein kinase Lck 1

Data from ChEMBL 36 via Core Engine