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Compound Detail

CHEMBL97966

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CON(c1ccccc1)S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL97966
Phase Preclinical
Structure Type MOL
InChI Key RUECDUWYCNUBEY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

263.3
MW (Da)
2.44
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13NO3S
MW 263.32
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
9667978 10.1021/jm980200+ Aldehyde dehydrogenase 1A1 1

Data from ChEMBL 36 via Core Engine