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Compound Detail

CHEMBL5204754

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CCSc1ncnc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)n[nH]c12

Basic Information

ChEMBL ID CHEMBL5204754
Phase Preclinical
Structure Type MOL
InChI Key WWMUINBFWBCECZ-PRTGYXNQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
-0.38
ALogP
8
HBA
4
HBD
124.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16N4O4S
MW 312.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.07

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Influenza A virus
CHEMBL613740
IC50 6.7 6.7 201.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Influenza A virus IC50 = 201.0 nM 6.7 Antiviral activity against Influenza A virus A/WSN/33(H1N1) infected in dog MDCK... 35092894

Literature References

PubMed DOI Target Context # Activities
35092894 10.1016/j.bmc.2022.116613 Influenza A virus 1
35092894 10.1016/j.bmc.2022.116613 MDCK 1

Data from ChEMBL 36 via Core Engine