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Compound Detail

CHEMBL142233

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CCc1nccn1-c1cc2nc(O)c(O)nc2cc1[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL142233
Phase Preclinical
Structure Type MOL
InChI Key RCKRTMMBJNXVQC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.3
MW (Da)
1.70
ALogP
8
HBA
2
HBD
127.2
PSA (Ų)
0.56
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 C13H11N5O4
MW 301.26
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.39

Activity Summary

Ki 1 meas. best 6.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
Ki 6.41 6.41 390.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine