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Compound Detail

CHEMBL3103976

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O=C(Nc1ccc2c(c1)N(O)C(=O)/C2=C(\O)c1ccccc1)c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3103976
Phase Preclinical
Structure Type MOL
InChI Key GCPAKFCNXLGGMU-ZCXUNETKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
4.16
ALogP
5
HBA
3
HBD
89.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14N2O4S
MW 378.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.7 4.7 19952.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 19952.62 nM 4.7 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