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Compound Detail

CHEMBL475970

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O=[N+]([O-])c1ccc(S(=O)(=O)n2c3ccccc3c3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL475970
Phase Preclinical
Structure Type MOL
InChI Key MXQSTURKDCSFOO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
3.94
ALogP
5
HBA
0
HBD
82.2
PSA (Ų)
0.41
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 C18H12N2O4S
MW 352.37
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.13

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19143528 10.1021/jm800720a Fructose-1,6-bisphosphatase 1 1

Data from ChEMBL 36 via Core Engine