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Compound Detail

CHEMBL387276

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COc1cc(/C=C/C(C)=O)ccc1OCCF

Basic Information

ChEMBL ID CHEMBL387276
Phase Preclinical
Structure Type MOL
InChI Key UNGUWRSINLFCBT-ONEGZZNKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

238.3
MW (Da)
2.65
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15FO3
MW 238.26
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.17

Activity Summary

Ki 1 meas. best 6.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 6.63 6.63 232.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Amyloid-beta precursor protein Ki = 232.7 nM 6.63 Displacement of [125I]IMPY from beta amyloid protein 40 17004725

Literature References

PubMed DOI Target Context # Activities
17004725 10.1021/jm0607193 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine