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Compound Detail

CHEMBL3218754

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CCOC(=O)CSc1nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3218754
Phase Preclinical
Structure Type MOL
InChI Key XKDKOEOPFTXXRF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
3.89
ALogP
7
HBA
1
HBD
85.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15FN2O4S3
MW 426.52
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.47

Literature References

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

Data from ChEMBL 36 via Core Engine