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Compound Detail

CHEMBL109191

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O=[N+]([O-])c1ccc(N(CCO)CCO)c([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL109191
Phase Preclinical
Structure Type MOL
InChI Key YZUXSPJXFILPIS-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.2
MW (Da)
0.29
ALogP
7
HBA
2
HBD
130.0
PSA (Ų)
0.54
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 C10H13N3O6
MW 271.23
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.34

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
1507207 10.1021/jm00095a018 ADMET 3

Data from ChEMBL 36 via Core Engine