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Compound Detail

CHEMBL26699

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O=[N+]([O-])c1cc2nc(O)c(O)nc2nc1[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL26699
Phase Preclinical
Structure Type MOL
InChI Key GDBMNBXUUXVCIS-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

253.1
MW (Da)
0.25
ALogP
9
HBA
2
HBD
165.4
PSA (Ų)
0.56
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 C7H3N5O6
MW 253.13
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.80

Activity Summary

Ki 2 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
Ki 6.07 6.07 860.0 1
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
Ki 5.1 5.1 8000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8632440 10.1021/jm950304+ Glutamate receptor ionotropic, AMPA 1
8632440 10.1021/jm950304+ Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine