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Compound Detail

CHEMBL504254

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COc1ccc(S(=O)(=O)n2cccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL504254
Phase Preclinical
Structure Type MOL
InChI Key PTOXNAYXGVJKDN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
1.73
ALogP
4
HBA
0
HBD
48.3
PSA (Ų)
0.82
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 C11H11NO3S
MW 237.28
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.14

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