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Compound Detail

CHEMBL1928117

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CS(=O)(=O)c1ccc(-c2ccc3c(c2)CC(=O)N(O)C3=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1928117
Phase Preclinical
Structure Type MOL
InChI Key IGCDDULLWINMGJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
1.67
ALogP
5
HBA
1
HBD
91.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13NO5S
MW 331.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
22100256 10.1016/j.bmc.2011.10.058 Hepatitis C virus 2
22100256 10.1016/j.bmc.2011.10.058 Huh-7 2
22100256 10.1016/j.bmc.2011.10.058 ADMET 1

Data from ChEMBL 36 via Core Engine