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Compound Detail

CHEMBL142208

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C=CCN(CC(=O)O)c1c(N)c(=O)c1=O

Basic Information

ChEMBL ID CHEMBL142208
Phase Preclinical
Structure Type MOL
InChI Key UKKBTSNNWGTWFU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

210.2
MW (Da)
-1.06
ALogP
5
HBA
2
HBD
100.7
PSA (Ų)
0.47
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 C9H10N2O4
MW 210.19
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.33

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 10000.0 nM 5.0 Inhibition of [3H]CPP binding to rat N-methyl-D-aspartate glutamate receptor 1361582

Literature References

PubMed DOI Target Context # Activities
1361582 10.1021/jm00103a010 Glutamate NMDA receptor 1
1361582 10.1021/jm00103a010 Glutamate receptor ionotropic, AMPA 1
1361582 10.1021/jm00103a010 Glutamate receptor ionotropic, kainate 1

Data from ChEMBL 36 via Core Engine