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Compound Detail

CHEMBL189988

BENZYLSULFONYLBENZENE
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O=S(=O)(Cc1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL189988
Name BENZYLSULFONYLBENZENE
Phase Preclinical
Structure Type MOL
InChI Key FABCMLOTUSCWOR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
2.66
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.81
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 C13H12O2S
MW 232.30
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
15828829 10.1021/jm049011j Liver carboxylesterase 1 2
15828829 10.1021/jm049011j Cocaine esterase 1
15828829 10.1021/jm049011j Acetylcholinesterase 1
15828829 10.1021/jm049011j Cholinesterase 1

Data from ChEMBL 36 via Core Engine