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Compound Detail

CHEMBL1767213

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CN(C)c1ccc(/C=C/C(=O)/C=C/c2ccc(Cl)cc2)cc1

Basic Information

ChEMBL ID CHEMBL1767213
Phase Preclinical
Structure Type MOL
InChI Key FLIFGNAGRUBAFP-FNCQTZNRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.8
MW (Da)
4.70
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18ClNO
MW 311.81
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.45

Activity Summary

Ki 1 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 8.96 8.96 1.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 1.1 nM 8.96 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