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Compound Detail

CHEMBL477182

GW769076X
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Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL477182
Name GW769076X
Phase Preclinical
Structure Type MOL
InChI Key CZXAZXLPPWLLGJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
5.05
ALogP
4
HBA
2
HBD
74.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30N4O2
MW 454.57
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.56

Activity Summary

Ki 1 meas. best 8.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 Ki 8.72 8.72 1.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 Ki = 1.9 nM 8.72 Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{... 18602262

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 Tyrosine-protein kinase Lyn 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 Cyclin-dependent kinase 2 4
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase B-raf 4
- 10.6019/CHEMBL1961873 Fibroblast growth factor receptor 4 2
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase Fgr 2
- 10.6019/CHEMBL1961873 Fibroblast growth factor receptor 2 2
- 10.6019/CHEMBL1961873 Vascular endothelial growth factor receptor 3 2
- 10.6019/CHEMBL1961873 Macrophage colony-stimulating factor 1 receptor 2
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase Fyn 2
- 10.6019/CHEMBL1961873 Fibroblast growth factor receptor 1 2
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase Fer 2
- 10.6019/CHEMBL2007661 Serine/threonine-protein kinase TBK1 2

Data from ChEMBL 36 via Core Engine