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Compound Detail

CHEMBL427991

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NC(Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=O)O

Basic Information

ChEMBL ID CHEMBL427991
Phase Preclinical
Structure Type MOL
InChI Key JZHILFCUIHARMU-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

271.2
MW (Da)
0.16
ALogP
7
HBA
3
HBD
169.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H9N3O7
MW 271.18
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.13

Activity Summary

IC50 2 meas. best 4.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 4.6 4.6 25000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9379437 10.1021/jm950028z Glutamate receptor ionotropic, AMPA 2
9544203 10.1021/jm970276q Glutamate receptor ionotropic, AMPA 1
9379437 10.1021/jm950028z ADMET 1
9379437 10.1021/jm950028z Glutamate receptor ionotropic, kainate 1
9379437 10.1021/jm950028z Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine