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Compound Detail

CHEMBL512380

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O=C(Nc1cccc(Br)c1)c1nscc1NCc1cnoc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL512380
Phase Preclinical
Structure Type MOL
InChI Key GHLUIYDWZFXEEF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
19
Publications
0
Known Names

Molecular Properties

379.2
MW (Da)
3.76
ALogP
6
HBA
2
HBD
80.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11BrN4O2S
MW 379.24
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.80

Literature References

PubMed DOI Target Context # Activities
19124243 10.1016/j.bmcl.2008.12.078 Vascular endothelial growth factor receptor 2 2
19124243 10.1016/j.bmcl.2008.12.078 Unchecked 2
19124243 10.1016/j.bmcl.2008.12.078 Macrophage-stimulating protein receptor 1
19124243 10.1016/j.bmcl.2008.12.078 Serine/threonine-protein kinase PLK1 1
19124243 10.1016/j.bmcl.2008.12.078 Aurora kinase B 1
19124243 10.1016/j.bmcl.2008.12.078 Aurora kinase A 1
19124243 10.1016/j.bmcl.2008.12.078 Proto-oncogene tyrosine-protein kinase Src 1
19124243 10.1016/j.bmcl.2008.12.078 Cyclin-dependent kinase 2 1
19124243 10.1016/j.bmcl.2008.12.078 Cyclin-dependent kinase 1 1
19124243 10.1016/j.bmcl.2008.12.078 Bcr/Abl fusion protein 1
19124243 10.1016/j.bmcl.2008.12.078 Glycogen synthase kinase-3 beta 1
19124243 10.1016/j.bmcl.2008.12.078 Hepatocyte growth factor receptor 1
19124243 10.1016/j.bmcl.2008.12.078 Receptor tyrosine-protein kinase erbB-2 1
19124243 10.1016/j.bmcl.2008.12.078 Epidermal growth factor receptor 1
19124243 10.1016/j.bmcl.2008.12.078 Receptor-type tyrosine-protein kinase FLT3 1
19124243 10.1016/j.bmcl.2008.12.078 Fibroblast growth factor receptor 1 1
19124243 10.1016/j.bmcl.2008.12.078 Insulin receptor 1
19124243 10.1016/j.bmcl.2008.12.078 Insulin-like growth factor 1 receptor 1
19124243 10.1016/j.bmcl.2008.12.078 Vascular endothelial growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine