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Compound Detail

CHEMBL5394205

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O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1)c1ccc(O)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5394205
Phase Preclinical
Structure Type MOL
InChI Key WVJDPIRLIAISGN-NXZHAISVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
5.17
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H16F2O4
MW 406.38
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.14

Activity Summary

IC50 1 meas. best 6.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha-synuclein
CHEMBL6152
 IC50 6.18 6.18 660.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alpha-synuclein IC50 = 660.0 nM 6.18 Inhibition of recombinant human Alpha-synuclein aggregation expressed in Escheri... 35728509

Literature References

PubMed DOI Target Context # Activities
35728509 10.1016/j.ejmech.2022.114529 Alpha-synuclein 14
35728509 10.1016/j.ejmech.2022.114529 ADMET 3

Data from ChEMBL 36 via Core Engine