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Compound Detail

CHEMBL388227

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CN(C(=O)C(F)(F)F)c1ccc(-c2cn3cc(Br)ccc3n2)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL388227
Phase Preclinical
Structure Type MOL
InChI Key QSCVWGFVNFOXFJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

477.1
MW (Da)
5.05
ALogP
3
HBA
0
HBD
37.6
PSA (Ų)
0.52
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10Br2F3N3O
MW 477.08
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.82

Literature References

PubMed DOI Target Context # Activities
17722900 10.1021/jm0702231 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine