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Compound Detail

CHEMBL206670

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c1ccc2ncc(Nc3nnc(-c4cc5ccccc5nc4CCc4ccncc4)o3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL206670
Phase Preclinical
Structure Type MOL
InChI Key AJLLWVWGZYXPJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
5.76
ALogP
7
HBA
1
HBD
89.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H20N6O
MW 444.50
Aromatic Rings 6
Heavy Atoms 34
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
16460936 10.1016/j.bmcl.2005.12.090 Vascular endothelial growth factor receptor 2 2
16460936 10.1016/j.bmcl.2005.12.090 Vascular endothelial growth factor receptor 1 1
16460936 10.1016/j.bmcl.2005.12.090 Bcr/Abl fusion protein 1
16460936 10.1016/j.bmcl.2005.12.090 Cyclin-dependent kinase 2 1
16460936 10.1016/j.bmcl.2005.12.090 Cyclin-dependent kinase 5 1

Data from ChEMBL 36 via Core Engine