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Compound Detail

CHEMBL4545539

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COc1cccc(NS(=O)(=O)/C=C/c2ccccc2Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4545539
Phase Preclinical
Structure Type MOL
InChI Key WDMVUPYDXVIMEB-MDZDMXLPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.8
MW (Da)
3.76
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14ClNO3S
MW 323.80
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
31312409 10.1021/acsmedchemlett.9b00163 Nuclear factor erythroid 2-related factor 2 1

Data from ChEMBL 36 via Core Engine