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Compound Detail

CHEMBL4076071

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NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4076071
Phase Preclinical
Structure Type MOL
InChI Key MUROZEFDSFDSBW-XBXARRHUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
1.07
ALogP
5
HBA
4
HBD
129.7
PSA (Ų)
0.47
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 C16H16N2O5S
MW 348.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
28619537 10.1016/j.bmcl.2017.06.011 B16 2

Data from ChEMBL 36 via Core Engine