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Compound Detail

CHEMBL1669100

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CNc1ccc(C(=O)/C=C/c2ccc3[nH]ccc3c2)cc1

Basic Information

ChEMBL ID CHEMBL1669100
Phase Preclinical
Structure Type MOL
InChI Key DEJQTTGFVCXZCB-YCRREMRBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
4.11
ALogP
2
HBA
2
HBD
44.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2O
MW 276.34
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.20

Activity Summary

Ki 1 meas. best 7.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 7.29 7.29 51.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 51.09 nM 7.29 Displacement of [125I]IMPY from amyloid beta 1 to 42 after 2 hrs 21216142

Literature References

PubMed DOI Target Context # Activities
21216142 10.1016/j.bmcl.2010.12.045 Unchecked 1

Data from ChEMBL 36 via Core Engine