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Compound Detail

CHEMBL442729

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O=C(NCCS)NS(=O)(=O)c1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL442729
Phase Preclinical
Structure Type MOL
InChI Key YWLFBRWNQUUQLS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.8
MW (Da)
1.26
ALogP
4
HBA
3
HBD
75.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H11ClN2O3S2
MW 294.79
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.84

Literature References

PubMed DOI Target Context # Activities
18650089 10.1016/j.bmcl.2008.06.103 Fructose-1,6-bisphosphatase 1 2

Data from ChEMBL 36 via Core Engine