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Compound Detail

CHEMBL3109720

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O=[N+]([O-])c1cccc(-c2ccc(O)cc2O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3109720
Phase Preclinical
Structure Type MOL
InChI Key NIWBLVBOHUGPST-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

231.2
MW (Da)
2.67
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H9NO4
MW 231.21
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
23871907 10.1016/j.ejmech.2013.06.039 Polyunsaturated fatty acid 5-lipoxygenase 4
23871907 10.1016/j.ejmech.2013.06.039 Polyunsaturated fatty acid lipoxygenase ALOX12 1
23871907 10.1016/j.ejmech.2013.06.039 Polyunsaturated fatty acid lipoxygenase ALOX15 1

Data from ChEMBL 36 via Core Engine