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Compound Detail

CHEMBL300593

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CC(C)c1cc(NS(C)(=O)=O)cc(C(C)C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL300593
Phase Preclinical
Structure Type MOL
InChI Key LABXQPNZMAWYTG-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
3.01
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.83
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 C13H21NO3S
MW 271.38
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.46

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9599235 10.1021/jm970681h GABA-A receptor; anion channel 1
9599235 10.1021/jm970681h No relevant target 1

Data from ChEMBL 36 via Core Engine