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Compound Detail

CHEMBL2332989

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COc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2332989
Phase Preclinical
Structure Type MOL
InChI Key UVGFYTMWSGOJRW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

283.2
MW (Da)
2.38
ALogP
5
HBA
0
HBD
86.5
PSA (Ų)
0.53
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 C15H9NO5
MW 283.24
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
23454511 10.1016/j.ejmech.2013.01.049 HL-60 1
23454511 10.1016/j.ejmech.2013.01.049 J82 1
23454511 10.1016/j.ejmech.2013.01.049 SK-MES-1 1
23454511 10.1016/j.ejmech.2013.01.049 AGS 1
23454511 10.1016/j.ejmech.2013.01.049 MRC5 1

Data from ChEMBL 36 via Core Engine