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Compound Detail

CHEMBL183993

GW811761X
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CCOc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)cnn2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL183993
Name GW811761X
Phase Preclinical
Structure Type MOL
InChI Key WNKSRDBBYKDORB-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
4.35
ALogP
7
HBA
1
HBD
77.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15F3N6O
MW 400.36
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.90

Activity Summary

Ki 2 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 beta
CHEMBL262
 Ki 6.72 6.72 190.0 1
Cyclin-dependent kinase 2
CHEMBL301
 Ki 5.7 5.7 1990.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 beta Ki = 190.0 nM 6.72 Binding affinity for human glycogen synthase kinase 3 beta 15341487
Cyclin-dependent kinase 2 Ki = 1990.0 nM 5.7 Binding affinity for human cyclin-dependent kinase 2 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 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 Cyclin-dependent kinase 2 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 Serine/threonine-protein kinase B-raf 4
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase Lyn 4
- 10.6019/CHEMBL1961873 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 2
- 10.6019/CHEMBL1961873 Phosphatidylinositol 4-kinase beta 2
- 10.6019/CHEMBL1961873 Sphingosine kinase 1 2
- 10.6019/CHEMBL1961873 Sphingosine kinase 2 2
- 10.6019/CHEMBL1961873 Casein kinase II subunit alpha 2
- 10.6019/CHEMBL1961873 Inhibitor of nuclear factor kappa-B kinase subunit alpha 2
- 10.6019/CHEMBL1961873 Mitogen-activated protein kinase 12 2
- 10.6019/CHEMBL1961873 Mitogen-activated protein kinase 13 2
- 10.6019/CHEMBL2007661 Serine/threonine-protein kinase TBK1 2

Data from ChEMBL 36 via Core Engine