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Compound Detail

CHEMBL4540325

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O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(Cl)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4540325
Phase Preclinical
Structure Type MOL
InChI Key GKPWCBGHOSGIHS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

332.8
MW (Da)
2.79
ALogP
5
HBA
1
HBD
89.3
PSA (Ų)
0.67
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 C11H9ClN2O4S2
MW 332.79
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.54

Activity Summary

EC50 1 meas. best 4.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Influenza A virus
CHEMBL613740
 EC50 4.16 4.16 70050.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Influenza A virus EC50 = 70050.0 nM 4.16 Antiviral activity against amantadine-sensitive Influenza A virus (A/chicken/Hub... 31559005

Literature References

PubMed DOI Target Context # Activities
31559005 10.1039/C8MD00474A Influenza A virus 2
31559005 10.1039/C8MD00474A Matrix protein 2 2
31559005 10.1039/C8MD00474A MDCK 1
31559005 10.1039/C8MD00474A Unchecked 1
31559005 10.1039/C8MD00474A Saccharomyces cerevisiae 1

Data from ChEMBL 36 via Core Engine