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Compound Detail

CHEMBL165373

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O=[N+]([O-])c1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL165373
Phase Preclinical
Structure Type MOL
InChI Key RJKGJBPXVHTNJL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

173.2
MW (Da)
2.75
ALogP
2
HBA
0
HBD
43.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H7NO2
MW 173.17
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
1995902 10.1021/jm00106a046 Salmonella typhimurium 1
1995902 10.1021/jm00106a046 No relevant target 1
28527406 10.1016/j.ejmech.2017.05.015 Histone acetyltransferase KAT8 1

Data from ChEMBL 36 via Core Engine