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Compound Detail

CHEMBL504558

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Cc1cc(C)cc(Nc2nc(CC3CCCC[C@H]3N)n3ccnc3c2C(N)=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL504558
Phase Preclinical
Structure Type MOL
InChI Key JDLARZUZUCUWJE-OMOCHNIRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
3.25
ALogP
6
HBA
3
HBD
111.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N6O
MW 392.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.82

Activity Summary

IC50 1 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
 IC50 8.6 8.6 2.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase SYK IC50 = 2.5 nM 8.6 Inhibition of recombinant Syk 19254842

Literature References

PubMed DOI Target Context # Activities
19254842 10.1016/j.bmcl.2009.02.049 Tyrosine-protein kinase SYK 1

Data from ChEMBL 36 via Core Engine