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Compound Detail

CHEMBL514929

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COc1cc(Nc2ncnc3ccsc23)ccc1-c1nc2ccccc2s1

Basic Information

ChEMBL ID CHEMBL514929
Phase Preclinical
Structure Type MOL
InChI Key YVZHTPUIVFSOKV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
5.72
ALogP
7
HBA
1
HBD
59.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14N4OS2
MW 390.49
Aromatic Rings 5
Heavy Atoms 27
NP-Likeness -2.00

Literature References

PubMed DOI Target Context # Activities
19211246 10.1016/j.bmcl.2009.01.054 Aurora kinase B 1
19211246 10.1016/j.bmcl.2009.01.054 Aurora kinase A 1
19211246 10.1016/j.bmcl.2009.01.054 Epidermal growth factor receptor 1
19211246 10.1016/j.bmcl.2009.01.054 Receptor tyrosine-protein kinase erbB-2 1
19211246 10.1016/j.bmcl.2009.01.054 Insulin receptor 1
19211246 10.1016/j.bmcl.2009.01.054 Proto-oncogene tyrosine-protein kinase Src 1
19211246 10.1016/j.bmcl.2009.01.054 Angiopoietin-1 receptor 1
19211246 10.1016/j.bmcl.2009.01.054 Vascular endothelial growth factor receptor 3 1
19211246 10.1016/j.bmcl.2009.01.054 Vascular endothelial growth factor receptor 2 1
19211246 10.1016/j.bmcl.2009.01.054 Insulin-like growth factor 1 receptor 1

Data from ChEMBL 36 via Core Engine