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Compound Detail

CHEMBL476177

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COc1ccc(S(=O)(=O)n2ccc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL476177
Phase Preclinical
Structure Type MOL
InChI Key TVTFKGKDSMJQEF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
2.89
ALogP
4
HBA
0
HBD
48.3
PSA (Ų)
0.74
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 C15H13NO3S
MW 287.34
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
19143528 10.1021/jm800720a Fructose-1,6-bisphosphatase 1 1

Data from ChEMBL 36 via Core Engine