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Compound Detail

CHEMBL471950

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COc1ccc(-c2cc3nc(Br)ccc3c(NCCCN)n2)cc1

Basic Information

ChEMBL ID CHEMBL471950
Phase Preclinical
Structure Type MOL
InChI Key FIVSPFBKRAKGCH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.3
MW (Da)
3.83
ALogP
5
HBA
2
HBD
73.1
PSA (Ų)
0.50
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 C18H19BrN4O
MW 387.28
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 6.92 6.92 120.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase SYK IC50 = 120.0 nM 6.92 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