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Compound Detail

CHEMBL4293428

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N#CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL4293428
Phase Preclinical
Structure Type MOL
InChI Key MSLZMABZPKDFJU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
2.93
ALogP
3
HBA
0
HBD
61.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15FN2O2S
MW 318.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.06

Activity Summary

EC50 2 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Influenza A virus
CHEMBL613740
EC50 6.39 6.39 410.0 1
Matrix protein 2
CHEMBL2052
EC50 6.36 6.36 440.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30292897 10.1016/j.ejmech.2018.09.065 Matrix protein 2 2
30292897 10.1016/j.ejmech.2018.09.065 Influenza A virus 1
30292897 10.1016/j.ejmech.2018.09.065 MDCK 1
30292897 10.1016/j.ejmech.2018.09.065 Unchecked 1
30292897 10.1016/j.ejmech.2018.09.065 Saccharomyces cerevisiae 1

Data from ChEMBL 36 via Core Engine