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Compound Detail

CHEMBL1796237

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CN(C)c1ccc(C(=O)c2cc3cc(Br)ccc3o2)cc1

Basic Information

ChEMBL ID CHEMBL1796237
Phase Preclinical
Structure Type MOL
InChI Key JUGZBGZYQQSZMB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

344.2
MW (Da)
4.49
ALogP
3
HBA
0
HBD
33.5
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 C17H14BrNO2
MW 344.21
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.00

Activity Summary

Ki 1 meas. best 8.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 8.06 8.06 8.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 8.8 nM 8.06 Displacement of [125I]-IMPY from amyloid beta (1 to 42) after 2 hrs by gamma cou... 21622003

Literature References

PubMed DOI Target Context # Activities
21622003 10.1016/j.bmc.2011.04.049 Unchecked 1

Data from ChEMBL 36 via Core Engine