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Compound Detail

CHEMBL33373

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CNc1nc(-c2ccc(OC)cc2)nc2ccccc12

Basic Information

ChEMBL ID CHEMBL33373
Phase Preclinical
Structure Type MOL
InChI Key APFRZFWAWFZNEJ-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
3.35
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O
MW 265.32
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.17

Activity Summary

IC50 3 meas. best 4.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 4.4 4.4 40000.0 3

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
22257213 10.1021/jm201271b Tyrosine-protein kinase SYK 1

Data from ChEMBL 36 via Core Engine