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Compound Detail

CHEMBL129227

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Cc1cn(-c2cc3nc(O)c(O)nc3cc2[N+](=O)[O-])cn1

Basic Information

ChEMBL ID CHEMBL129227
Phase Preclinical
Structure Type MOL
InChI Key WBBYUNAZUPKVSP-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

287.2
MW (Da)
1.44
ALogP
8
HBA
2
HBD
127.2
PSA (Ų)
0.54
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 C12H9N5O4
MW 287.24
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.12

Activity Summary

Ki 2 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
Ki 6.75 6.75 180.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8120865 10.1021/jm00030a006 Glutamate receptor ionotropic, AMPA 1
8831762 10.1021/jm960387+ Glutamate receptor ionotropic, AMPA 1

Data from ChEMBL 36 via Core Engine