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Compound Detail

CHEMBL122188

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O=C(O)c1nc2cc(N3CCOCC3)c([N+](=O)[O-])cc2nc1O

Basic Information

ChEMBL ID CHEMBL122188
Phase Preclinical
Structure Type MOL
InChI Key SRHWHIIUDXEGMO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.3
MW (Da)
0.78
ALogP
8
HBA
2
HBD
138.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N4O6
MW 320.26
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.39

Activity Summary

Ki 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
Ki 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14505662 10.1016/s0960-894x(03)00740-6 Glutamate receptor ionotropic, AMPA 1

Data from ChEMBL 36 via Core Engine