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Compound Detail

CHEMBL113588

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O=[N+]([O-])c1ccc2nc(O)c3nnnn3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL113588
Phase Preclinical
Structure Type MOL
InChI Key HUMHYFZHTXWQBT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

232.2
MW (Da)
0.29
ALogP
8
HBA
1
HBD
119.3
PSA (Ų)
0.47
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 C8H4N6O3
MW 232.16
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -2.39

Literature References

PubMed DOI Target Context # Activities
1382133 10.1021/jm00096a002 Glutamate receptor ionotropic, AMPA 1
1382133 10.1021/jm00096a002 Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine