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Compound Detail

CHEMBL34211

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COc1ccc(-c2cc3ncccc3c(N)n2)cc1

Basic Information

ChEMBL ID CHEMBL34211
Phase Preclinical
Structure Type MOL
InChI Key JVBSWOACVWUZRV-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

251.3
MW (Da)
2.89
ALogP
4
HBA
1
HBD
61.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13N3O
MW 251.29
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.88

Activity Summary

IC50 2 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 4.77 4.77 17000.0 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
19254842 10.1016/j.bmcl.2009.02.049 Tyrosine-protein kinase SYK 1

Data from ChEMBL 36 via Core Engine