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Compound Detail

CHEMBL456227

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COC(=O)/C(O)=C/C(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL456227
Phase Preclinical
Structure Type MOL
InChI Key FHICHTKOKOTRTO-YFHOEESVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

206.2
MW (Da)
1.48
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.35
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 C11H10O4
MW 206.20
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.13

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19112024 10.1016/j.bmc.2008.11.075 unidentified influenza virus 1
22211528 10.1021/cb200439z Polymerase acidic protein 1
7695269 10.1128/aac.38.12.2827 Polymerase acidic protein 1

Data from ChEMBL 36 via Core Engine