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Compound Detail

CHEMBL371050

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Cc1coc(NS(=O)(=O)c2cccc(Cl)c2CC(=O)O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL371050
Phase Preclinical
Structure Type MOL
InChI Key SZAQFUBLGDHTCD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.8
MW (Da)
2.06
ALogP
5
HBA
2
HBD
109.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11ClN2O5S
MW 330.75
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
15911270 10.1016/j.bmcl.2005.03.093 11-beta-hydroxysteroid dehydrogenase 1 1
15911270 10.1016/j.bmcl.2005.03.093 11-beta-hydroxysteroid dehydrogenase type 2 1

Data from ChEMBL 36 via Core Engine