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Compound Detail

CHEMBL3126522

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COc1cc(/C=C2\COc3ccc(Br)cc3C2=O)cc(OC)c1

Basic Information

ChEMBL ID CHEMBL3126522
Phase Preclinical
Structure Type MOL
InChI Key KKNMFPIRNWACFM-LFYBBSHMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.2
MW (Da)
4.13
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.76
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 C18H15BrO4
MW 375.22
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.09

Activity Summary

Ki 1 meas. best 7.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 7.41 7.41 39.2 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