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Compound Detail

CHEMBL4453833

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CC(C)c1cccc(-c2cc(=O)c(O)c(C(=O)O)[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4453833
Phase Preclinical
Structure Type MOL
InChI Key UUPHQNIYRUADLB-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

273.3
MW (Da)
2.57
ALogP
3
HBA
3
HBD
90.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15NO4
MW 273.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.06

Activity Summary

IC50 2 meas. best 8.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polymerase acidic protein
CHEMBL1169598
 IC50 8.2 8.2 6.3 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polymerase acidic protein IC50 = 6.3 nM 8.2 Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endon... 31536340
Polymerase acidic protein IC50 = 6.31 nM 8.2 Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endon... 31536340

Literature References

PubMed DOI Target Context # Activities
31536340 10.1021/acs.jmedchem.9b00747 Polymerase acidic protein 3

Data from ChEMBL 36 via Core Engine