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Compound Detail

CHEMBL505578

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

Basic Information

ChEMBL ID CHEMBL505578
Phase Preclinical
Structure Type MOL
InChI Key AEQJHMRWXRUFMH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
1.39
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.85
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 C11H16N2O3S
MW 256.33
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.88

Activity Summary

IC50 1 meas.

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