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Compound Detail

CHEMBL186213

GW827105X
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COc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL186213
Name GW827105X
Phase Preclinical
Structure Type MOL
InChI Key BWBYKJFTJZIURF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

462.4
MW (Da)
5.62
ALogP
7
HBA
1
HBD
77.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H17F3N6O
MW 462.44
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.43

Activity Summary

Ki 1 meas. best 4.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 beta
CHEMBL262
 Ki 4.5 4.5 31600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 beta Ki = 31600.0 nM 4.5 Binding affinity for human glycogen synthase kinase 3 beta 15341487

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase ABL1 14
- 10.6019/CHEMBL1961873 Epidermal growth factor receptor 10
- 10.6019/CHEMBL1961873 Platelet-derived growth factor receptor alpha 8
- 10.6019/CHEMBL1961873 Mast/stem cell growth factor receptor Kit 8
- 10.6019/CHEMBL1961873 Proto-oncogene tyrosine-protein kinase receptor Ret 6
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase Lyn 4
- 10.6019/CHEMBL1961873 Cyclin-dependent kinase 2 4
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase B-raf 4
- 10.6019/CHEMBL1961873 Protein kinase C beta type 4
- 10.6019/CHEMBL1961873 Receptor-type tyrosine-protein kinase FLT3 4
- 10.6019/CHEMBL1961873 Leucine-rich repeat serine/threonine-protein kinase 2 4
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase HCK 2
- 10.6019/CHEMBL1961873 Insulin-like growth factor 1 receptor 2
- 10.6019/CHEMBL1961873 Insulin receptor 2
- 10.6019/CHEMBL1961873 Insulin receptor-related protein 2
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase ITK/TSK 2
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase JAK1 2
- 10.6019/CHEMBL1961873 Vascular endothelial growth factor receptor 3 2
- 10.6019/CHEMBL1961873 Vascular endothelial growth factor receptor 1 2
- 10.6019/CHEMBL2007661 Serine/threonine-protein kinase TBK1 2

Data from ChEMBL 36 via Core Engine