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Compound Detail

CHEMBL3103965

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C/C(O)=C1/C(=O)N(O)c2cc(NC(=O)c3cccs3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3103965
Phase Preclinical
Structure Type MOL
InChI Key QRCWDGNCRMLOHB-JYRVWZFOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.3
MW (Da)
3.03
ALogP
5
HBA
3
HBD
89.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N2O4S
MW 316.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.33

Activity Summary

IC50 1 meas. best 4.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.4 4.4 39810.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 39810.72 nM 4.4 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