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Compound Detail

CHEMBL342760

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O=[N+]([O-])c1ccccc1S(=O)(=O)n1ccc2ccccc21

Basic Information

ChEMBL ID CHEMBL342760
Phase Preclinical
Structure Type MOL
InChI Key HUQBHLJAJLUOMR-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
2.79
ALogP
5
HBA
0
HBD
82.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10N2O4S
MW 302.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.53

Activity Summary

EC50 2 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MT4
CHEMBL388
EC50 5.3 5.3 5000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8558522 10.1021/jm950568w MT4 3
15634015 10.1021/jm040854k MT4 1
28789893 10.1016/j.bmcl.2017.07.081 Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine