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Compound Detail

CHEMBL517206

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O=S(=O)(c1ccc2ccccc2c1)n1c2ccccc2c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL517206
Phase Preclinical
Structure Type MOL
InChI Key OGWRCTVGMJBFRL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
5.18
ALogP
3
HBA
0
HBD
39.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15NO2S
MW 357.43
Aromatic Rings 5
Heavy Atoms 26
NP-Likeness -0.75

Literature References

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

Data from ChEMBL 36 via Core Engine