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Compound Detail

CHEMBL65293

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O=[N+]([O-])c1cc2cc(P(=O)(O)O)c(O)nc2cc1[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL65293
Phase Preclinical
Structure Type MOL
InChI Key ODUUHISBILAFIK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

315.1
MW (Da)
0.56
ALogP
7
HBA
3
HBD
176.9
PSA (Ų)
0.41
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 C9H6N3O8P
MW 315.13
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.66

Activity Summary

IC50 2 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate
CHEMBL2094119
IC50 6.82 6.82 150.0 1
Glutamate NMDA receptor
CHEMBL1907608
IC50 4.29 4.29 51500.0 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