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Compound Detail

CHEMBL3126515

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O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)COc2ccc(Br)cc21

Basic Information

ChEMBL ID CHEMBL3126515
Phase Preclinical
Structure Type MOL
InChI Key MMJWABJDAWZQJO-YRNVUSSQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.2
MW (Da)
4.02
ALogP
4
HBA
0
HBD
69.4
PSA (Ų)
0.46
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 C16H10BrNO4
MW 360.16
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.59

Activity Summary

Ki 1 meas. best 6.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 6.97 6.97 107.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24583352 10.1016/j.ejmech.2014.02.020 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine