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Compound Detail

CHEMBL5407952

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COCCCn1c2c(c(SCc3ccc(Cl)cc3)nc1=O)CCC2

Basic Information

ChEMBL ID CHEMBL5407952
Phase Preclinical
Structure Type MOL
InChI Key VIPRRFOAOZMXLX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.9
MW (Da)
3.71
ALogP
5
HBA
0
HBD
44.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21ClN2O2S
MW 364.90
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.81

Activity Summary

IC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
unidentified influenza virus
CHEMBL613128
IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38283223 10.1039/d3md00513e unidentified influenza virus 1

Data from ChEMBL 36 via Core Engine