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Compound Detail

CHEMBL1165177

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NS(=O)(=O)c1ccc(Cc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1165177
Phase Preclinical
Structure Type MOL
InChI Key KIUKKIGZLLXWDK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
3.99
ALogP
5
HBA
1
HBD
99.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25NO5S
MW 427.52
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
20226573 10.1016/j.ejmech.2010.02.041 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine