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Compound Detail

CHEMBL3393940

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O=C(O)CCc1c(C(=O)O)n(Cc2ccccc2)c2c([N+](=O)[O-])cccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3393940
Phase Preclinical
Structure Type MOL
InChI Key KKPQEVQZZBSNHM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
3.31
ALogP
5
HBA
2
HBD
122.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N2O6
MW 368.35
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.70

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