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Compound Detail

CHEMBL16406

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O=C(c1ccccc1)c1c(O)n(O)c2cc(NS(=O)(=O)c3cccs3)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL16406
Phase Preclinical
Structure Type MOL
InChI Key UYVIMBKKSYDOGA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
3.68
ALogP
7
HBA
3
HBD
108.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
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 4
Heavy Atoms 28
NP-Likeness -1.34

Activity Summary

IC50 1 meas. best 4.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polymerase acidic protein
CHEMBL1169598
 IC50 4.32 4.32 48000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polymerase acidic protein IC50 = 48000.0 nM 4.32 Inhibitory concentration against cap-dependent endonuclease activity of influenz... 12646026

Literature References

PubMed DOI Target Context # Activities
12646026 10.1021/jm020334u Polymerase acidic protein 2
12646026 10.1021/jm020334u unidentified influenza virus 1

Data from ChEMBL 36 via Core Engine