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Compound Detail

CHEMBL4457315

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O=c1oc2ccc(-c3ccc(F)cc3)cc2cc1O

Basic Information

ChEMBL ID CHEMBL4457315
Phase Preclinical
Structure Type MOL
InChI Key UQZZTEILRCQSFX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

256.2
MW (Da)
3.30
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9FO3
MW 256.23
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.13

Activity Summary

IC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polymerase acidic protein
CHEMBL1169598
IC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polymerase acidic protein IC50 = 500.0 nM 6.3 Inhibition of Influenza A virus CEN 31386363

Literature References

PubMed DOI Target Context # Activities
31386363 10.1021/acs.jmedchem.9b00861 Polymerase acidic protein 1

Data from ChEMBL 36 via Core Engine