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Compound Detail

CHEMBL64395

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O=c1[nH]c2cc([N+](=O)[O-])ccc2cc1-c1cc(O)n[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL64395
Phase Preclinical
Structure Type MOL
InChI Key PDWRNFZBVNVLKI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

272.2
MW (Da)
1.53
ALogP
5
HBA
3
HBD
124.9
PSA (Ų)
0.48
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 C12H8N4O4
MW 272.22
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
8568808 10.1021/jm950323j Glutamate receptor ionotropic, kainate 1
8568808 10.1021/jm950323j Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine