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Compound Detail

CHEMBL237347

GW559768X
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Cc1ccc(O)cc1Nc1ccnc2ccc(S(C)(=O)=O)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL237347
Name GW559768X
Phase Preclinical
Structure Type MOL
InChI Key BVHZLDLRNBQWRF-UHFFFAOYSA-N
5
Targets
16
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
3.40
ALogP
5
HBA
2
HBD
79.3
PSA (Ų)
0.77
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 C17H16N2O3S
MW 328.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.12

Activity Summary

IC50 11 meas. best 8.52
Ki 5 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
 IC50 8.52 8.52 3.0 1
Receptor-interacting serine/threonine-protein kinase 2
CHEMBL5014
 IC50 8.52 8.31 3.0 4
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
CHEMBL3984
 Ki 7.77 6.846 16.9 5
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
CHEMBL3984
 IC50 6.75 6.43 177.0 4
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 6.73 6.73 186.0 1
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proto-oncogene tyrosine-protein kinase receptor Ret IC50 = 3.0 nM 8.52 Inhibition of RET kinase in Sf9 cells 17884497
Receptor-interacting serine/threonine-protein kinase 2 IC50 = 3.0 nM 8.52 Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) exp... 27109867
Receptor-interacting serine/threonine-protein kinase 2 IC50 = 3.0 nM 8.52 Inhibition of full length FLAG His-tagged RIPK2 (unknown origin) expressed in Ba... 37531744
Receptor-interacting serine/threonine-protein kinase 2 IC50 = 3.162 nM 8.5 Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) exp... 27109867
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase Ki = 16.85 nM 7.77 Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 ... 29941193
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase Ki = 16.85 nM 7.77 Displacement of (6-FAM)KI(pY)VV from full length PKMYT1 (unknown origin) by fluo... 30388464
Receptor-interacting serine/threonine-protein kinase 2 IC50 = 20.0 nM 7.7 Inhibition of RIP2K in MDP-stimulated HEK-293 cells over-expressing NOD2 assesse... 27109867
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase IC50 = 177.0 nM 6.75 Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 ... 29941193
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase IC50 = 177.0 nM 6.75 Displacement of (6-FAM)KI(pY)VV from full length PKMYT1 (unknown origin) by fluo... 30388464
Vascular endothelial growth factor receptor 2 IC50 = 186.0 nM 6.73 Inhibition of VEGFR2(unknown origin) 27109867
Mitogen-activated protein kinase 14 IC50 = 500.0 nM 6.3 Inhibition of p38alpha (unknown origin) 27109867
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase Ki = 588.0 nM 6.23 Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]... 29941193
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase Ki = 588.84 nM 6.23 Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fl... 30388464
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase Ki = 588.0 nM 6.23 Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fl... 30388464
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase IC50 = 775.0 nM 6.11 Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]... 29941193
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase IC50 = 775.0 nM 6.11 Displacement of (6-FAM)KI(pY)VV from PKMYT1 kinase domain (unknown origin) by fl... 30388464

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
30388464 10.1016/j.ejmech.2018.10.050 Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase 5
27109867 10.1021/acs.jmedchem.6b00211 Receptor-interacting serine/threonine-protein kinase 2 5
29941193 10.1016/j.bmc.2018.06.027 Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase 5
- 10.6019/CHEMBL1961873 Leucine-rich repeat serine/threonine-protein 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 Protein kinase C beta type 4
- 10.6019/CHEMBL1961873 Cyclin-dependent kinase 2 4
- 10.6019/CHEMBL1961873 RAC-alpha serine/threonine-protein kinase 2
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase MRCK alpha 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 Serine/threonine-protein kinase D2 2

Data from ChEMBL 36 via Core Engine