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Compound Detail

CHEMBL554794

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CCCCCCS(=O)(=O)[O-].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL554794
Phase Preclinical
Structure Type MOL
InChI Key QWSZRRAAFHGKCH-UHFFFAOYSA-M
Parent Compound CHEMBL1208318
Active Moiety CHEMBL1208318
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

166.2
MW (Da)
1.45
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H13NaO3S
MW 188.22
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 0.31

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
19534533 10.1021/jm900190q Unchecked 1
19534533 10.1021/jm900190q No relevant target 1

Data from ChEMBL 36 via Core Engine