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Compound Detail

CHEMBL62352

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O=C(Nc1nn[nH]n1)c1cc2ccc([N+](=O)[O-])cc2nc1O

Basic Information

ChEMBL ID CHEMBL62352
Phase Preclinical
Structure Type MOL
InChI Key SEQLVKLCYQERMK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

301.2
MW (Da)
0.61
ALogP
8
HBA
3
HBD
159.8
PSA (Ų)
0.47
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 C11H7N7O4
MW 301.22
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.02

Activity Summary

IC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate
CHEMBL2094119
IC50 4.0 4.0 100000.0 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