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Compound Detail

CHEMBL566723

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CNc1ccc(/C=C/c2ccc(OCCCCCCF)cc2)cc1

Basic Information

ChEMBL ID CHEMBL566723
Phase Preclinical
Structure Type MOL
InChI Key SRAKOTPBRHFCNM-VOTSOKGWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
5.81
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.44
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26FNO
MW 327.44
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.33

Activity Summary

Ki 1 meas. best 8.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 8.65 8.65 2.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19845387 10.1021/jm901039z Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine