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Compound Detail

CHEMBL22608

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Oc1nc2cccc(Cl)c2nc1O

Basic Information

ChEMBL ID CHEMBL22608
Phase Preclinical
Structure Type MOL
InChI Key ZQIVPRINVRSPLR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

196.6
MW (Da)
1.69
ALogP
4
HBA
2
HBD
66.2
PSA (Ų)
0.67
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 C8H5ClN2O2
MW 196.59
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.91

Activity Summary

IC50 1 meas. best 4.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 4.25 4.25 56300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 56300.0 nM 4.25 Inhibition of [3H]glycine binding to glycine site of N-methyl-D-aspartate glutam... 1826744

Literature References

PubMed DOI Target Context # Activities
8917657 10.1021/jm960520y Glutamate NMDA receptor 2
1826744 10.1021/jm00108a002 Glutamate NMDA receptor 2
8765507 10.1021/jm960214k Glutamate receptor ionotropic, NMDA 1 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