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Compound Detail

CHEMBL2088483

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CC(NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2088483
Phase Preclinical
Structure Type MOL
InChI Key QZTFKMDNUMGOGL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.3
MW (Da)
5.49
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.61
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15F4NO
MW 361.34
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.35

Activity Summary

IC50 1 meas. best 4.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.31 4.31 49000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 49000.0 nM 4.31 Inhibition of Influenza A virus (A/Anhui/1/2005(H5N1)) hemagglutininin-mediated ... 23059548

Literature References

PubMed DOI Target Context # Activities
23059548 10.1016/j.ejmech.2012.08.041 Unchecked 1

Data from ChEMBL 36 via Core Engine