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Compound Detail

CHEMBL256179

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CN(C)c1ccc(/C=C/c2ccc(-c3nc4cc(OCCCF)ccc4s3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL256179
Phase Preclinical
Structure Type MOL
InChI Key YZNWYIXQEFLHQQ-SNAWJCMRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

432.6
MW (Da)
6.94
ALogP
4
HBA
0
HBD
25.4
PSA (Ų)
0.22
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25FN2OS
MW 432.56
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.33

Activity Summary

Ki 1 meas. best 9.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 9.31 9.31 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.49 nM 9.31 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