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Compound Detail

CHEMBL358207

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CCOC(=O)c1cccn1S(=O)(=O)c1ccccc1[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL358207
Phase Preclinical
Structure Type MOL
InChI Key VFHJYKJGNBSYMB-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
1.81
ALogP
7
HBA
0
HBD
108.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N2O6S
MW 324.31
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.59

Activity Summary

EC50 2 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MT4
CHEMBL388
EC50 4.82 4.82 15000.0 1
Human immunodeficiency virus
CHEMBL613758
EC50 4.82 4.82 15080.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8558522 10.1021/jm950568w MT4 3
30119011 10.1016/j.ejmech.2018.08.002 Human immunodeficiency virus 1

Data from ChEMBL 36 via Core Engine