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Compound Detail

CHEMBL395776

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Oc1ccc(/C=C/c2c(F)c(F)c(/C=C/c3ccc(O)cc3)c(F)c2F)cc1

Basic Information

ChEMBL ID CHEMBL395776
Phase Preclinical
Structure Type MOL
InChI Key INBTZMQKOZGCIH-YDWXAUTNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.3
MW (Da)
6.00
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H14F4O2
MW 386.34
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.10

Activity Summary

Kd 1 meas. best 10.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Kd 10.52 10.52 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Kd = 0.03 nM 10.52 Binding affinity to beta amyloid protein 1-40 by fluorescence titration 17845017

Literature References

PubMed DOI Target Context # Activities
17845017 10.1021/jm070085f Unchecked 1

Data from ChEMBL 36 via Core Engine