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Compound Detail

CHEMBL400499

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Cc1ccc(C(N)=O)cc1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL400499
Phase Preclinical
Structure Type MOL
InChI Key RJFKMWMYHHXZDG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
2.47
ALogP
6
HBA
4
HBD
136.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N6O2
MW 362.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.51

Activity Summary

IC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase LCK
CHEMBL2480
 IC50 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proto-oncogene tyrosine-protein kinase LCK IC50 = 1300.0 nM 5.89 Inhibition of murine Lck by TR-FRET assay 17600705

Literature References

PubMed DOI Target Context # Activities
17600705 10.1016/j.bmcl.2007.04.029 Proto-oncogene tyrosine-protein kinase LCK 1

Data from ChEMBL 36 via Core Engine