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Compound Detail

CHEMBL359963

GW805758X
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CC(C)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL359963
Name GW805758X
Phase Preclinical
Structure Type MOL
InChI Key UODXTGBFBIFREQ-UHFFFAOYSA-N
6
Targets
9
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
4.05
ALogP
6
HBA
1
HBD
68.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N6
MW 330.40
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.34

Activity Summary

IC50 6 meas. best 8.96
Ki 3 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CDK8/Cyclin C
CHEMBL3038474
 IC50 8.96 8.96 1.1 1
Cyclin-C/Cyclin-dependent kinase 19
CHEMBL3883323
 IC50 8.57 8.57 2.7 1
Cyclin-dependent kinase 2
CHEMBL301
 Ki 8.0 8.0 10.0 1
Glycogen synthase kinase-3 beta
CHEMBL262
 IC50 7.8 7.8 16.0 1
CDK9/Cyclin K
CHEMBL3038475
 IC50 7.7 7.7 20.0 1
Glycogen synthase kinase-3 beta
CHEMBL262
 Ki 7.52 7.52 30.0 1
Cyclin-dependent kinase 2
CHEMBL301
 IC50 7.4 7.4 40.0 1
Cyclin-dependent kinase 4
CHEMBL331
 IC50 5.7 5.7 2000.0 1
Cyclin-dependent kinase 4
CHEMBL331
 Ki 5.7 5.7 1990.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CDK8/Cyclin C IC50 = 1.1 nM 8.96 Inhibition of CDK8/Cyclin C (unknown origin) by LanthaScreen binding assay 35814933
Cyclin-C/Cyclin-dependent kinase 19 IC50 = 2.7 nM 8.57 Inhibition of CDK19/Cyclin C (unknown origin) by LanthaScreen binding assay 35814933
Cyclin-dependent kinase 2 Ki = 10.0 nM 8.0 Binding affinity for human cyclin-dependent kinase 2 15341487
Glycogen synthase kinase-3 beta IC50 = 16.0 nM 7.8 Inhibition of GSK3-beta by scintillation proximity assay 18835709
CDK9/Cyclin K IC50 = 20.0 nM 7.7 Inhibition of CDK9/Cyclin K (unknown origin) by LanthaScreen binding assay 35814933
Glycogen synthase kinase-3 beta Ki = 30.0 nM 7.52 Binding affinity for human glycogen synthase kinase 3 beta 15341487
Cyclin-dependent kinase 2 IC50 = 40.0 nM 7.4 Inhibition of human CDK2 by HTRF assay 18835709
Cyclin-dependent kinase 4 IC50 = 2000.0 nM 5.7 Inhibition of CDK4 by radioactive glutathione plate-binding assay 18835709
Cyclin-dependent kinase 4 Ki = 1990.0 nM 5.7 Binding affinity for human cyclin-dependent kinase 4 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 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 Protein kinase C beta type 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 Receptor-type tyrosine-protein kinase FLT3 4
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase Lyn 4
- 10.6019/CHEMBL1961873 Rhodopsin kinase GRK7 2
- 10.6019/CHEMBL1961873 Ribosomal protein S6 kinase alpha-4 2
- 10.6019/CHEMBL1961873 Ribosomal protein S6 kinase alpha-5 2
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase MRCK beta 2
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase MRCK alpha 2
- 10.6019/CHEMBL1961873 G protein-coupled receptor kinase 6 2
- 10.6019/CHEMBL1961873 RAC-alpha serine/threonine-protein kinase 2
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase D3 2
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase D2 2

Data from ChEMBL 36 via Core Engine