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Compound Detail

CHEMBL3103978

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O=C1/C(=C(\O)c2ccccc2)c2ccc(NS(=O)(=O)c3cccs3)cc2N1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3103978
Phase Preclinical
Structure Type MOL
InChI Key UGEOYXIMSJQNBE-ZCXUNETKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
3.71
ALogP
6
HBA
3
HBD
106.9
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14N2O5S2
MW 414.46
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.33

Activity Summary

IC50 1 meas. best 4.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.32 4.32 47863.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 47863.01 nM 4.32 Inhibition of influenza A virus RNA-dependent RNA polymerase subunit PA endonucl... 24365156

Literature References

PubMed DOI Target Context # Activities
24365156 10.1016/j.bmcl.2013.12.026 Unchecked 1

Data from ChEMBL 36 via Core Engine