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Compound Detail

CHEMBL3127759

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COc1ccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)O)cc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3127759
Phase Preclinical
Structure Type MOL
InChI Key QWZMLRUEODEXFL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.3
MW (Da)
3.53
ALogP
5
HBA
3
HBD
117.5
PSA (Ų)
0.49
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 C16H13N3O5
MW 327.30
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.96

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