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Compound Detail

CHEMBL5079958

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COc1ccc(/C=C/c2ccccc2NC(=O)c2cccs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5079958
Phase Preclinical
Structure Type MOL
InChI Key OWWFNXPUOFQDGR-DHZHZOJOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
5.18
ALogP
3
HBA
1
HBD
38.3
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 C20H17NO2S
MW 335.43
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.18

Literature References

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

Data from ChEMBL 36 via Core Engine