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Compound Detail

CHEMBL485226

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O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL485226
Phase Preclinical
Structure Type MOL
InChI Key WIWLBMHDBRUWCG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.3
MW (Da)
4.56
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H10F6N4O
MW 400.28
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.88

Literature References

PubMed DOI Target Context # Activities
18835179 10.1016/j.bmc.2008.09.047 Unchecked 2

Data from ChEMBL 36 via Core Engine