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Compound Detail

CHEMBL416555

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Cc1cc2[nH]c(=O)c(=O)n(C)c2cc1C

Basic Information

ChEMBL ID CHEMBL416555
Phase Preclinical
Structure Type MOL
InChI Key ZUQUSPPQQXAYFG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

204.2
MW (Da)
0.84
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12N2O2
MW 204.23
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.75

Activity Summary

IC50 1 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.18 5.18 6600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 6600.0 nM 5.18 Inhibition of [3H]glycine binding to glycine site of N-methyl-D-aspartate glutam... 1826744

Literature References

PubMed DOI Target Context # Activities
1826744 10.1021/jm00108a002 Glutamate NMDA receptor 2
1826744 10.1021/jm00108a002 Glutamate receptor ionotropic, AMPA 1
1826744 10.1021/jm00108a002 Glutamate receptor ionotropic, kainate 1

Data from ChEMBL 36 via Core Engine