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Compound Detail

CHEMBL460958

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Clc1cccc(-n2cc(-c3ccccc3NCc3ccc4c(c3)OCO4)nn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL460958
Phase Preclinical
Structure Type MOL
InChI Key NMBKGBDYMASKKJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
19
Publications
0
Known Names

Molecular Properties

404.9
MW (Da)
4.93
ALogP
6
HBA
1
HBD
61.2
PSA (Ų)
0.51
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 C22H17ClN4O2
MW 404.86
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
19188066 10.1016/j.bmcl.2009.01.046 Vascular endothelial growth factor receptor 2 2
19188066 10.1016/j.bmcl.2009.01.046 Unchecked 2
19188066 10.1016/j.bmcl.2009.01.046 Glycogen synthase kinase-3 beta 1
19188066 10.1016/j.bmcl.2009.01.046 Vascular endothelial growth factor receptor 1 1
19188066 10.1016/j.bmcl.2009.01.046 Serine/threonine-protein kinase PLK1 1
19188066 10.1016/j.bmcl.2009.01.046 Aurora kinase B 1
19188066 10.1016/j.bmcl.2009.01.046 Aurora kinase A 1
19188066 10.1016/j.bmcl.2009.01.046 Proto-oncogene tyrosine-protein kinase Src 1
19188066 10.1016/j.bmcl.2009.01.046 Cyclin-dependent kinase 2 1
19188066 10.1016/j.bmcl.2009.01.046 Cyclin-dependent kinase 1 1
19188066 10.1016/j.bmcl.2009.01.046 Bcr/Abl fusion protein 1
19188066 10.1016/j.bmcl.2009.01.046 Insulin-like growth factor 1 receptor 1
19188066 10.1016/j.bmcl.2009.01.046 Macrophage-stimulating protein receptor 1
19188066 10.1016/j.bmcl.2009.01.046 Hepatocyte growth factor receptor 1
19188066 10.1016/j.bmcl.2009.01.046 Receptor tyrosine-protein kinase erbB-2 1
19188066 10.1016/j.bmcl.2009.01.046 Epidermal growth factor receptor 1
19188066 10.1016/j.bmcl.2009.01.046 Receptor-type tyrosine-protein kinase FLT3 1
19188066 10.1016/j.bmcl.2009.01.046 Fibroblast growth factor receptor 1 1
19188066 10.1016/j.bmcl.2009.01.046 Insulin receptor 1

Data from ChEMBL 36 via Core Engine