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Compound Detail

CHEMBL137295

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O=C(O)/C=C/c1cc(O)c(O)cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL137295
Phase Preclinical
Structure Type MOL
InChI Key HBPNVBRRVZOYHL-OWOJBTEDSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

225.2
MW (Da)
1.10
ALogP
5
HBA
3
HBD
120.9
PSA (Ų)
0.31
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 C9H7NO6
MW 225.16
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.10

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00048-0 Unchecked 2
- 10.1016/0960-894X(96)00048-0 Xanthine dehydrogenase/oxidase 1

Data from ChEMBL 36 via Core Engine