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Compound Detail

CHEMBL13219

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Cc1ccc(C)n1-c1cc2nc(O)c(O)nc2cc1[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL13219
Phase Preclinical
Structure Type MOL
InChI Key FJVJRRGFABNQFM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
2.36
ALogP
7
HBA
2
HBD
114.3
PSA (Ų)
0.55
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 C14H12N4O4
MW 300.27
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.13

Activity Summary

Ki 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic AMPA
CHEMBL2096670
Ki 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic AMPA Ki = 20000.0 nM 4.7 Displacement of [3H]AMPA from AMPA receptor -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00170-4 Glutamate receptor ionotropic AMPA 1

Data from ChEMBL 36 via Core Engine