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Compound Detail

CHEMBL288446

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O=[N+]([O-])c1cccc(O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL288446
Phase Preclinical
Structure Type MOL
InChI Key YHKWFDPEASWKFQ-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

155.1
MW (Da)
1.01
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H5NO4
MW 155.11
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.53

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00048-0 Unchecked 2
11738563 10.1016/s0960-894x(01)00680-1 Nitric oxide synthase 1 1
- 10.1016/0960-894X(96)00048-0 Xanthine dehydrogenase/oxidase 1

Data from ChEMBL 36 via Core Engine