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Compound Detail

CHEMBL23067

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NS(=O)(=O)OCC(Cl)(Cl)Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL23067
Phase Preclinical
Structure Type MOL
InChI Key VOKONKGVTXWZJI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

228.5
MW (Da)
0.58
ALogP
3
HBA
1
HBD
69.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C2H4Cl3NO3S
MW 228.48
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness -0.45

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11965370 10.1016/s0960-894x(02)00137-3 Steryl-sulfatase 2

Data from ChEMBL 36 via Core Engine