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Compound Detail

CHEMBL43918

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O=Nc1c(O)nc2c(Cl)cccc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL43918
Phase Preclinical
Structure Type MOL
InChI Key NEBXKPRGJIMCCZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

224.6
MW (Da)
2.70
ALogP
5
HBA
2
HBD
82.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H5ClN2O3
MW 224.60
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.86

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
12699379 10.1021/jm0210156 Glutamate [NMDA] receptor 2
8917657 10.1021/jm960520y Glutamate NMDA receptor 1
8765507 10.1021/jm960214k Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine