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Compound Detail

CHEMBL258082

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Nc1ccc(/C=C/c2ccc(-c3nc4ccc(OCCF)cc4o3)cc2)cc1

Basic Information

ChEMBL ID CHEMBL258082
Phase Preclinical
Structure Type MOL
InChI Key XGFXEFFLCCASGV-OWOJBTEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
5.60
ALogP
4
HBA
1
HBD
61.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19FN2O2
MW 374.42
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.82

Activity Summary

Ki 1 meas. best 9.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 9.33 9.33 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.47 nM 9.33 Displacement of [125I]TZDM from beta amyloid protein 42 18226893

Literature References

PubMed DOI Target Context # Activities
18226893 10.1016/j.bmcl.2007.10.004 Unchecked 1

Data from ChEMBL 36 via Core Engine