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Compound Detail

CHEMBL3127766

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O=C(O)c1cc2c(Nc3cccc([N+](=O)[O-])c3)ccc([N+](=O)[O-])c2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3127766
Phase Preclinical
Structure Type MOL
InChI Key FMCUOKDABPVORH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.3
MW (Da)
3.43
ALogP
6
HBA
3
HBD
151.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10N4O6
MW 342.27
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
24530031 10.1016/j.bmc.2014.01.047 Fructose-1,6-bisphosphatase 1 1

Data from ChEMBL 36 via Core Engine