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Compound Detail

CHEMBL282417

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O=[N+]([O-])c1cc2nc(O)c(O)nc2nc1N1CCOCC1

Basic Information

ChEMBL ID CHEMBL282417
Phase Preclinical
Structure Type MOL
InChI Key XBXWPPONTPZVAQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

293.2
MW (Da)
0.18
ALogP
9
HBA
2
HBD
134.7
PSA (Ų)
0.59
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 C11H11N5O5
MW 293.24
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.27

Activity Summary

Ki 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
Ki 6.04 6.04 920.0 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