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Compound Detail

CHEMBL148867

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O=[N+]([O-])c1ccccc1S(=O)(=O)n1cccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL148867
Phase Preclinical
Structure Type MOL
InChI Key YTQHREXERZGIKH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

252.2
MW (Da)
1.63
ALogP
5
HBA
0
HBD
82.2
PSA (Ų)
0.61
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 C10H8N2O4S
MW 252.25
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.65

Literature References

PubMed DOI Target Context # Activities
8558522 10.1021/jm950568w MT4 2

Data from ChEMBL 36 via Core Engine