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Compound Detail

CHEMBL3103980

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

Basic Information

ChEMBL ID CHEMBL3103980
Phase Preclinical
Structure Type MOL
InChI Key HKTKILNPKQFCMH-OWBHPGMISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
3.42
ALogP
5
HBA
3
HBD
89.9
PSA (Ų)
0.46
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 C16H14N2O4S
MW 330.36
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 4.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.46 4.46 34673.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 34673.69 nM 4.46 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