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Compound Detail

CHEMBL4789704

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Nc1cc2oc3cc(=O)c(-c4ccc(O)cc4O)cc-3nc2cc1-c1ccc(O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4789704
Phase Preclinical
Structure Type MOL
InChI Key ABNVFGQXCGFSFH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.4
MW (Da)
4.03
ALogP
8
HBA
5
HBD
150.0
PSA (Ų)
0.21
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H16N2O6
MW 428.40
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 0.21

Activity Summary

IC50 1 meas. best 4.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha-synuclein
CHEMBL6152
 IC50 4.83 4.83 14700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alpha-synuclein IC50 = 14700.0 nM 4.83 Inhibition of human alpha-synuclein filament formation expressed in Escherichia ... 30743095

Literature References

PubMed DOI Target Context # Activities
30743095 10.1016/j.ejmech.2019.01.045 Alpha-synuclein 1

Data from ChEMBL 36 via Core Engine