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Compound Detail

CHEMBL4439800

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O=C(Nc1cc(F)cc(C(F)(F)F)c1)c1ccccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4439800
Phase Preclinical
Structure Type MOL
InChI Key COYHYTWPZXGHDS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

299.2
MW (Da)
3.80
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9F4NO2
MW 299.22
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.56

Activity Summary

IC50 1 meas. best 5.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human adenovirus 5
CHEMBL612237
 IC50 5.97 5.97 1070.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human adenovirus 5 IC50 = 1070.0 nM 5.97 Antiviral activity against Human adenovirus 5 infected in 293beta5 cells assesse... 32045239

Literature References

PubMed DOI Target Context # Activities
32045239 10.1021/acs.jmedchem.9b01950 Human adenovirus 5 2
32045239 10.1021/acs.jmedchem.9b01950 A549 1
32045239 10.1021/acs.jmedchem.9b01950 Unchecked 1

Data from ChEMBL 36 via Core Engine