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Compound Detail

CHEMBL352799

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NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL352799
Phase Preclinical
Structure Type MOL
InChI Key HORQAOAYAYGIBM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

198.1
MW (Da)
0.79
ALogP
6
HBA
2
HBD
124.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H6N4O4
MW 198.14
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -1.81

Literature References

PubMed DOI Target Context # Activities
1995902 10.1021/jm00106a046 Salmonella typhimurium 1
1995902 10.1021/jm00106a046 No relevant target 1
28197313 10.1021/acsmedchemlett.6b00417 Myeloperoxidase 1

Data from ChEMBL 36 via Core Engine