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Compound Detail

CHEMBL1767187

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CN(C)c1ccc(/C=C/C(=O)/C=C/c2cccc(OC(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1

Basic Information

ChEMBL ID CHEMBL1767187
Phase Preclinical
Structure Type MOL
InChI Key PDSPLLSMWHGCNR-LMCGJEQXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

535.7
MW (Da)
8.42
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H33NO2
MW 535.69
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -0.26

Activity Summary

Ki 1 meas. best 8.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 8.55 8.55 2.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 2.8 nM 8.55 Displacement of [125I]IMPY from amyloid beta (1 to 42) aggregate after 2 hrs by ... 21417461

Literature References

PubMed DOI Target Context # Activities
21417461 10.1021/jm101404k Unchecked 1

Data from ChEMBL 36 via Core Engine