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Compound Detail

CHEMBL396483

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NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL396483
Phase Preclinical
Structure Type MOL
InChI Key SVEPUZNLROGYNZ-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

197.2
MW (Da)
0.96
ALogP
5
HBA
1
HBD
112.3
PSA (Ų)
0.57
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 C7H7N3O4
MW 197.15
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -1.26

Activity Summary

Kd 3 meas.

Literature References

PubMed DOI Target Context # Activities
17629261 10.1021/jm0700969 Unchecked 2
17629261 10.1021/jm0700969 Heme oxygenase 1
17629261 10.1021/jm0700969 Pseudomonas aeruginosa 1

Data from ChEMBL 36 via Core Engine