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Compound Detail

CHEMBL5072207

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CN(C)c1ccc(/C=C/c2ccccc2NC(=O)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5072207
Phase Preclinical
Structure Type MOL
InChI Key PUHJRYAQDJZLSA-NTCAYCPXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
5.18
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.65
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N2O
MW 342.44
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.83

Activity Summary

Kd 1 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha-synuclein
CHEMBL6152
 Kd 6.82 6.82 150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alpha-synuclein Kd = 150.0 nM 6.82 Binding affinity to recombinant human alpha-syn aggregates assessed as dissociat... 34624824

Literature References

PubMed DOI Target Context # Activities
34624824 10.1016/j.ejmech.2021.113887 Alpha-synuclein 1

Data from ChEMBL 36 via Core Engine