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Compound Detail

CHEMBL388228

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Cc1cc(-c2cn3cc(Br)ccc3n2)ccc1NC(=O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL388228
Phase Preclinical
Structure Type MOL
InChI Key DJEXJQCMTFHXCD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.2
MW (Da)
4.57
ALogP
3
HBA
1
HBD
46.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11BrF3N3O
MW 398.18
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.23

Literature References

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

Data from ChEMBL 36 via Core Engine