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Compound Detail

CHEMBL506153

GW876790X
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CCn1c(-c2nonc2N)nc2cncc(C(=O)NCCNC)c21

Basic Information

ChEMBL ID CHEMBL506153
Name GW876790X
Phase Preclinical
Structure Type MOL
InChI Key RIIYKHQJSKRYKG-UHFFFAOYSA-N
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
0.03
ALogP
9
HBA
3
HBD
136.8
PSA (Ų)
0.54
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 C14H18N8O2
MW 330.35
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.21

Activity Summary

IC50 5 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rho-associated protein kinase 1
CHEMBL3231
IC50 8.3 8.3 5.0 1
Ribosomal protein S6 kinase alpha-5
CHEMBL4237
IC50 7.82 7.82 15.0 1
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
IC50 6.9 6.9 126.0 1
RAC-gamma serine/threonine-protein kinase
CHEMBL4816
IC50 5.85 5.85 1410.0 1
RAC-beta serine/threonine-protein kinase
CHEMBL2431
IC50 5.4 5.4 3980.0 1

Activity Data Samples

Top measurements by pChEMBL value

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 Tyrosine-protein kinase Lyn 4
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase B-raf 4
- 10.6019/CHEMBL1961873 Protein kinase C beta type 4
- 10.6019/CHEMBL1961873 Receptor-type tyrosine-protein kinase FLT3 4
- 10.6019/CHEMBL1961873 Cyclin-dependent kinase 2 4
- 10.6019/CHEMBL1961873 Leucine-rich repeat serine/threonine-protein kinase 2 4
- 10.6019/CHEMBL1961873 Insulin-like growth factor 1 receptor 2
- 10.6019/CHEMBL1961873 Insulin receptor 2
- 10.6019/CHEMBL1961873 Insulin receptor-related protein 2
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase ITK/TSK 2
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase JAK1 2
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase JAK2 2
- 10.6019/CHEMBL1961873 Macrophage colony-stimulating factor 1 receptor 2
- 10.6019/CHEMBL1961873 Vascular endothelial growth factor receptor 3 2
- 10.6019/CHEMBL1961873 Leukocyte tyrosine kinase receptor 2

Data from ChEMBL 36 via Core Engine