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Compound Detail

CHEMBL64104

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O=[N+]([O-])c1ccc2cc(-c3nn[nH]n3)c(O)nc2c1

Basic Information

ChEMBL ID CHEMBL64104
Phase Preclinical
Structure Type MOL
InChI Key SRJVNCHUOTVNSZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

258.2
MW (Da)
1.03
ALogP
7
HBA
2
HBD
130.7
PSA (Ų)
0.52
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 C10H6N6O3
MW 258.20
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.69

Activity Summary

IC50 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate
CHEMBL2094119
IC50 5.52 5.52 3000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8568808 10.1021/jm950323j Glutamate receptor ionotropic, kainate 1
8568808 10.1021/jm950323j Glutamate NMDA receptor 1
8568808 10.1021/jm950323j Unchecked 1

Data from ChEMBL 36 via Core Engine