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Compound Detail

CHEMBL4280394

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CCOC(=O)CCc1cc(NS(=O)(=O)c2cccs2)c2c(c1OC)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4280394
Phase Preclinical
Structure Type MOL
InChI Key VOXUFZBUCBCHDB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
2.78
ALogP
8
HBA
1
HBD
100.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19NO7S2
MW 413.47
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.87

Data from ChEMBL 36 via Core Engine