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Compound Detail

CHEMBL207099

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Fc1ccc(CCc2ncccc2-c2nnc(Nc3cccc(C(F)(F)F)c3)o2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL207099
Phase Preclinical
Structure Type MOL
InChI Key FPGOIPSDOHTGRC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

446.4
MW (Da)
5.96
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.37
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 C22H15F5N4O
MW 446.38
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.66

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