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Compound Detail

CHEMBL64684

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O=[N+]([O-])c1cc2cc(-c3nn[nH]n3)c(O)nc2cc1[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL64684
Phase Preclinical
Structure Type MOL
InChI Key ZVTNFDJNGBTYNG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

303.2
MW (Da)
0.94
ALogP
9
HBA
2
HBD
173.9
PSA (Ų)
0.53
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 C10H5N7O5
MW 303.19
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.20

Activity Summary

IC50 2 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate
CHEMBL2094119
IC50 6.22 6.22 600.0 1
Glutamate NMDA receptor
CHEMBL1907608
IC50 4.7 4.7 20000.0 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