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Compound Detail

CHEMBL4792425

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Nc1ncnn2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc(I)c12

Basic Information

ChEMBL ID CHEMBL4792425
Phase Preclinical
Structure Type MOL
InChI Key LREWUECZIJMMSJ-QQRDMOCMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

392.1
MW (Da)
-0.93
ALogP
8
HBA
4
HBD
126.1
PSA (Ų)
0.49
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 C11H13IN4O4
MW 392.15
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.59

Activity Summary

EC50 1 meas. best 7.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 7.46 7.46 35.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 35.0 nM 7.46 Antiviral activity against murine Norovirus infected in mouse RAW264.7 cells ass... 32294613

Literature References

PubMed DOI Target Context # Activities
32294613 10.1016/j.ejmech.2020.112198 Unchecked 3
32294613 10.1016/j.ejmech.2020.112198 RAW264.7 1
32294613 10.1016/j.ejmech.2020.112198 Norovirus 1

Data from ChEMBL 36 via Core Engine