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Compound Detail

CHEMBL318728

GW549390X
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c1ccc(Nc2ncc(-c3ccccc3)o2)cc1

Basic Information

ChEMBL ID CHEMBL318728
Name GW549390X
Phase Preclinical
Structure Type MOL
InChI Key HFICAVMUTYFODG-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

236.3
MW (Da)
4.09
ALogP
3
HBA
1
HBD
38.1
PSA (Ų)
0.74
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 C15H12N2O
MW 236.27
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.82

Activity Summary

IC50 4 meas. best 6.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.87 6.395 134.0 2
Vascular endothelial growth factor receptor
CHEMBL2095227
IC50 5.52 5.52 3000.0 1
NON-PROTEIN TARGET
CHEMBL3879801
IC50 4.62 4.62 24000.0 1

Activity Data Samples

Top measurements by pChEMBL value

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 Mast/stem cell growth factor receptor Kit 8
- 10.6019/CHEMBL1961873 Platelet-derived growth factor receptor alpha 8
- 10.6019/CHEMBL1961873 Proto-oncogene tyrosine-protein kinase receptor Ret 6
- 10.6019/CHEMBL1961873 Protein kinase C beta type 4
- 10.6019/CHEMBL1961873 Leucine-rich repeat serine/threonine-protein kinase 2 4
- 10.6019/CHEMBL1961873 Cyclin-dependent kinase 2 4
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase Lyn 4
- 10.6019/CHEMBL1961873 Receptor-type tyrosine-protein kinase FLT3 4
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase B-raf 4
- 10.6019/CHEMBL1961873 Receptor tyrosine-protein kinase erbB-4 2
- 10.6019/CHEMBL1961873 Macrophage colony-stimulating factor 1 receptor 2
- 10.6019/CHEMBL2007661 Serine/threonine-protein kinase TBK1 2
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase Fes/Fps 2
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase Fer 2
- 10.6019/CHEMBL1961873 Receptor tyrosine-protein kinase erbB-2 2
- 10.6019/CHEMBL1961873 Ephrin type-B receptor 4 2
- 10.6019/CHEMBL1961873 Ephrin type-B receptor 3 2
- 10.6019/CHEMBL1961873 Ephrin type-A receptor 3 2

Data from ChEMBL 36 via Core Engine