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Compound Detail

CHEMBL3218753

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

Basic Information

ChEMBL ID CHEMBL3218753
Phase Preclinical
Structure Type MOL
InChI Key UCHGLTKJJUVIEB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
3.26
ALogP
7
HBA
1
HBD
85.4
PSA (Ų)
0.55
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 C13H13F3N2O4S3
MW 414.45
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -2.33

Literature References

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

Data from ChEMBL 36 via Core Engine