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Compound Detail

CHEMBL3393937

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CCOC(=O)c1[nH]c2c([N+](=O)[O-])cccc2c1CCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3393937
Phase Preclinical
Structure Type MOL
InChI Key ZUDIUTAUJKEZBC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
2.27
ALogP
5
HBA
2
HBD
122.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N2O6
MW 306.27
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
25461330 10.1016/j.ejmech.2014.11.049 Fructose-1,6-bisphosphatase 1 1

Data from ChEMBL 36 via Core Engine