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Compound Detail

CHEMBL4291537

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N#CCCN(Cc1ccco1)S(=O)(=O)c1ccc(C#N)cc1

Basic Information

ChEMBL ID CHEMBL4291537
Phase Preclinical
Structure Type MOL
InChI Key BYXJREYJZFTFJV-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
2.26
ALogP
5
HBA
0
HBD
98.1
PSA (Ų)
0.81
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 C15H13N3O3S
MW 315.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.23

Activity Summary

EC50 2 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Influenza A virus
CHEMBL613740
EC50 6.7 6.7 200.0 1
Matrix protein 2
CHEMBL2052
EC50 6.5 6.5 320.0 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