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Compound Detail

CHEMBL280446

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O=C(Nc1ccc2c(C(=O)c3ccccc3)c(O)n(O)c2c1)c1cnc2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL280446
Phase Preclinical
Structure Type MOL
InChI Key DGGWPOLBNNKTSF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

424.4
MW (Da)
4.01
ALogP
7
HBA
3
HBD
117.3
PSA (Ų)
0.30
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 C24H16N4O4
MW 424.42
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.00

Activity Summary

IC50 1 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polymerase acidic protein
CHEMBL1169598
 IC50 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polymerase acidic protein IC50 = 17000.0 nM 4.77 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