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Compound Detail

CHEMBL243935

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CC(=O)N(C)c1ccc(-c2cn3cc(Br)ccc3n2)cc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL243935
Phase Preclinical
Structure Type MOL
InChI Key WBGSJVGHIHHRTM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.2
MW (Da)
4.05
ALogP
3
HBA
0
HBD
37.6
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 C17H16BrN3O
MW 358.24
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.08

Literature References

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

Data from ChEMBL 36 via Core Engine