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Compound Detail

CHEMBL477583

GW743024X
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Cc1ccc(NC(=O)c2ccoc2)cc1-c1ccc(C(=O)NCC2CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL477583
Name GW743024X
Phase Preclinical
Structure Type MOL
InChI Key HNOVOESCCUJDRT-UHFFFAOYSA-N
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
4.65
ALogP
3
HBA
2
HBD
71.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N2O3
MW 374.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.98

Activity Summary

IC50 4 meas. best 7.8
Ki 3 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 Ki 8.22 7.9533 6.0 3
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 7.8 7.41 16.0 2
Heat shock protein beta-1
CHEMBL5976
 IC50 7.06 7.06 88.0 1
PBMC
CHEMBL613107
 IC50 6.19 6.19 650.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 Ki = 6.0 nM 8.22 Inhibition of human recombinant p38alpha-mediated ATF2 phosphorylation by TR-FRE... 18602262
Mitogen-activated protein kinase 14 Ki = 15.0 nM 7.82 Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{... 18602262
Mitogen-activated protein kinase 14 Ki = 15.0 nM 7.82 Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-... 18614366
Mitogen-activated protein kinase 14 IC50 = 16.0 nM 7.8 Inhibition of p38alpha phosphorylation in IL-1-alpha-stimulated HLF cells 18602262
Heat shock protein beta-1 IC50 = 88.0 nM 7.06 Inhibition of HSP27 phosphorylation in IL-1-alpha-stimulated HLF cells 18602262
Mitogen-activated protein kinase 14 IC50 = 96.0 nM 7.02 Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-... 18614366
PBMC IC50 = 650.0 nM 6.19 Inhibition of LPS-stimulated TNFalpha release in human PBMC by ELISA 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 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 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 Tyrosine-protein kinase Lyn 4
- 10.6019/CHEMBL1961873 Receptor-type tyrosine-protein kinase FLT3 4
- 10.6019/CHEMBL1961873 Leucine-rich repeat serine/threonine-protein kinase 2 4
18602262 10.1016/j.bmcl.2008.06.028 Mitogen-activated protein kinase 14 3
- 10.6019/CHEMBL2007661 Serine/threonine-protein kinase TBK1 2
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase MRCK beta 2
- 10.6019/CHEMBL1961873 Ribosomal protein S6 kinase alpha-5 2
- 10.6019/CHEMBL1961873 Ribosomal protein S6 kinase alpha-4 2
- 10.6019/CHEMBL1961873 Ribosomal protein S6 kinase beta-1 2
- 10.6019/CHEMBL1961873 Rhodopsin kinase GRK7 2
- 10.6019/CHEMBL1961873 RAC-beta serine/threonine-protein kinase 2
- 10.6019/CHEMBL1961873 RAC-alpha serine/threonine-protein kinase 2

Data from ChEMBL 36 via Core Engine