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Compound Detail

CHEMBL435795

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Nc1nc2ccc(/C(=N/O)c3ccccc3)nn2c1-c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL435795
Phase Preclinical
Structure Type MOL
InChI Key PBCRIASDIBXKSF-JJIBRWJFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
3.34
ALogP
6
HBA
2
HBD
88.8
PSA (Ų)
0.34
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 C19H14FN5O
MW 347.35
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.28

Activity Summary

IC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Picornaviridae
CHEMBL613008
 IC50 7.3 7.3 50.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Picornaviridae IC50 = 50.0 nM 7.3 Antiviral activity against Human picornavirus 19112024

Literature References

PubMed DOI Target Context # Activities
13678411 10.1021/jm020583i Human rhinovirus sp. 2
19112024 10.1016/j.bmc.2008.11.075 Picornaviridae 1

Data from ChEMBL 36 via Core Engine