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Compound Detail

CHEMBL3264946

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COc1ccc(C2=C3CS(=O)(=O)OCC3(C)OC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3264946
Phase Preclinical
Structure Type MOL
InChI Key HTIHUXKZLLKKSH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

310.3
MW (Da)
1.12
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.60
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 C14H14O6S
MW 310.33
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.56

Literature References

PubMed DOI Target Context # Activities
24745970 10.1016/j.bmcl.2014.03.012 Bovine viral diarrhea virus 1 1

Data from ChEMBL 36 via Core Engine