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Compound Detail

CHEMBL30716

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Cc1ccc(-c2cccc(-c3cc4ncccc4c(NCCCN)n3)c2)cc1

Basic Information

ChEMBL ID CHEMBL30716
Phase Preclinical
Structure Type MOL
InChI Key YBDXTCXQWHYRAK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
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 -0.96

Activity Summary

IC50 1 meas. best 5.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 5.42 5.42 3800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase SYK IC50 = 3800.0 nM 5.42 Inhibitory activity against spleen tyrosine kinase (SYK) 12668002

Literature References

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

Data from ChEMBL 36 via Core Engine