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Compound Detail

CHEMBL30823

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Cc1ccc(-c2ccc(-c3cc4ncccc4c(NCCCN)n3)cc2)cc1

Basic Information

ChEMBL ID CHEMBL30823
Phase Preclinical
Structure Type MOL
InChI Key OAVRODHKGRKOPG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
5.03
ALogP
4
HBA
2
HBD
63.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N4
MW 368.48
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.88

Activity Summary

IC50 2 meas. best 6.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 6.05 6.05 900.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12668002 10.1016/s0960-894x(03)00163-x Tyrosine-protein kinase SYK 1
23917087 10.1016/j.ejmech.2013.04.070 Tyrosine-protein kinase SYK 1

Data from ChEMBL 36 via Core Engine