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Compound Detail

CHEMBL2332854

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O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(Oc2ncnc3[nH]ncc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2332854
Phase Preclinical
Structure Type MOL
InChI Key IHEVLQKGFWWIEI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
4.35
ALogP
5
HBA
2
HBD
92.8
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 C20H14F3N5O2
MW 413.36
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -2.00

Literature References

PubMed DOI Target Context # Activities
23362959 10.1021/jm301537p Vascular endothelial growth factor receptor 2 1
23362959 10.1021/jm301537p HeLa 1
23362959 10.1021/jm301537p Receptor-type tyrosine-protein kinase FLT3 1

Data from ChEMBL 36 via Core Engine