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Compound Detail

CHEMBL321171

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O=[N+]([O-])c1ccc2c(c1)nc(O)c1nncn12

Basic Information

ChEMBL ID CHEMBL321171
Phase Preclinical
Structure Type MOL
InChI Key FVFLTKFYZGANTI-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

231.2
MW (Da)
0.89
ALogP
7
HBA
1
HBD
106.5
PSA (Ų)
0.49
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 C9H5N5O3
MW 231.17
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -2.11

Activity Summary

Ki 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
Ki 6.0 6.0 990.0 1
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
Ki 5.13 5.13 7350.0 1

Activity Data Samples

Top measurements by pChEMBL value

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