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Compound Detail

CHEMBL217360

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O=C(O)c1ccc2c(c1)S(=O)(=O)C(c1ccoc1)=C2C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL217360
Phase Preclinical
Structure Type MOL
InChI Key MMYJCACUSCQHJG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
3.82
ALogP
4
HBA
1
HBD
84.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16O5S
MW 344.39
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.11

Literature References

PubMed DOI Target Context # Activities
16908138 10.1016/j.bmcl.2006.07.074 RNA-directed RNA polymerase 1
16908138 10.1016/j.bmcl.2006.07.074 Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine