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Compound Detail

CHEMBL3218755

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CCOC(=O)CSc1nc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3218755
Phase Preclinical
Structure Type MOL
InChI Key TTXHJCWMLDWSGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.5
MW (Da)
3.66
ALogP
9
HBA
1
HBD
128.5
PSA (Ų)
0.24
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 C17H15N3O6S3
MW 453.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.46

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C1MD00129A Unchecked 1

Data from ChEMBL 36 via Core Engine