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Compound Detail

CHEMBL5170091

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CC(C)CC1=CC(/C=C/C=C/c2ccc(N(C)C)cc2)=[O+][B-](F)(F)O1

Basic Information

ChEMBL ID CHEMBL5170091
Phase Preclinical
Structure Type MOL
InChI Key JIYZGHZVPAXPNB-KQQUZDAGSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.2
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24BF2NO2
MW 347.21

Activity Summary

Kd 2 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Kd 5.85 5.075 1410.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Kd = 1410.0 nM 5.85 Binding affinity to amyloid beta (unknown origin) 35759679
Unchecked Kd = 50000.0 nM 4.3 Binding affinity to tau protein (unknown origin) 35759679

Literature References

PubMed DOI Target Context # Activities
35759679 10.1021/acs.jmedchem.1c01619 Unchecked 2

Data from ChEMBL 36 via Core Engine