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Compound Detail

CHEMBL8910

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O=C(O)c1cc2n(n1)C(C(=O)O)Nc1ccccc1-2

Basic Information

ChEMBL ID CHEMBL8910
Phase Preclinical
Structure Type MOL
InChI Key LCIRCFHCQNNBAG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

259.2
MW (Da)
1.26
ALogP
5
HBA
3
HBD
104.5
PSA (Ų)
0.75
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 C12H9N3O4
MW 259.22
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.66

Activity Summary

Ki 2 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
Ki 5.85 5.85 1410.0 1
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
Ki 4.91 4.91 12400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12954059 10.1021/jm030833a Glutamate receptor ionotropic, AMPA 1
12954059 10.1021/jm030833a Glutamate receptor ionotropic, NMDA 1 1
11855983 10.1021/jm010995b Glutamate receptor ionotropic, NMDA 1 1
11855983 10.1021/jm010995b Glutamate receptor ionotropic, AMPA 1
11855983 10.1021/jm010995b Glutamate receptor ionotropic, kainate 1

Data from ChEMBL 36 via Core Engine