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Compound Detail

CHEMBL3759263

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COc1ccc(COc2ccc(OCCF)cc2)cc1

Basic Information

ChEMBL ID CHEMBL3759263
Phase Preclinical
Structure Type MOL
InChI Key JCAQQOLIETVPQV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
3.62
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17FO3
MW 276.31
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.58

Activity Summary

Ki 1 meas. best 6.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 6.93 6.93 118.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26435514 10.1016/j.ejmech.2015.09.028 Amyloid-beta precursor protein 2

Data from ChEMBL 36 via Core Engine