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Compound Detail

CHEMBL23306

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N#Cc1cccc(OS(N)(=O)=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL23306
Phase Preclinical
Structure Type MOL
InChI Key LJMMVSSXNQNZJW-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

198.2
MW (Da)
0.14
ALogP
4
HBA
1
HBD
93.2
PSA (Ų)
0.73
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 C7H6N2O3S
MW 198.20
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.67

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
11965370 10.1016/s0960-894x(02)00137-3 Steryl-sulfatase 2
11294387 10.1016/s0960-894x(01)00087-7 Steryl-sulfatase 2
11294387 10.1016/s0960-894x(01)00087-7 No relevant target 1

Data from ChEMBL 36 via Core Engine