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Compound Detail

CHEMBL5199963

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CN(CCO)c1ccc2cc(/C=C/C=C/C=C(C#N)C#N)ccc2c1

Basic Information

ChEMBL ID CHEMBL5199963
Phase Preclinical
Structure Type MOL
InChI Key MVMYJVGEUOSIIR-ZUVMSYQZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.81
ALogP
4
HBA
1
HBD
71.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3O
MW 329.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.33

Activity Summary

Kd 1 meas. best 7.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Kd 7.84 7.84 14.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35759679 10.1021/acs.jmedchem.1c01619 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine