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Compound Detail

CHEMBL1669095

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O=C(/C=C/c1ccc2[nH]ccc2c1)c1ccc(Br)cc1

Basic Information

ChEMBL ID CHEMBL1669095
Phase Preclinical
Structure Type MOL
InChI Key LWBNAAQDMKMVLZ-KRXBUXKQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.2
MW (Da)
4.83
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.54
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 C17H12BrNO
MW 326.19
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.30

Activity Summary

Ki 1 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 8.05 8.05 9.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 8.96 nM 8.05 Displacement of [125I]IMPY from amyloid beta 1 to 42 after 2 hrs 21216142

Literature References

PubMed DOI Target Context # Activities
21216142 10.1016/j.bmcl.2010.12.045 Unchecked 1

Data from ChEMBL 36 via Core Engine