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Compound Detail

CHEMBL377915

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O=[N+]([O-])c1ccc2nc(O)cc(O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL377915
Phase Preclinical
Structure Type MOL
InChI Key GGMDSWMTVZEDCD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

206.2
MW (Da)
1.55
ALogP
5
HBA
2
HBD
96.5
PSA (Ų)
0.54
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 C9H6N2O4
MW 206.16
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
16784844 10.1016/j.bmcl.2006.06.014 Fatty acid synthase 1

Data from ChEMBL 36 via Core Engine