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Compound Detail

CHEMBL22274

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O=C(O)c1cc(O)c2cc(Cl)ccc2n1

Basic Information

ChEMBL ID CHEMBL22274
Phase Preclinical
Structure Type MOL
InChI Key FBHYBXRWVNVMRY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

223.6
MW (Da)
2.29
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.78
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 C10H6ClNO3
MW 223.62
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.68

Activity Summary

IC50 1 meas. best 4.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 4.39 4.39 41000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, AMPA IC50 = 41000.0 nM 4.39 Inhibition of [3H]-AMPA binding to AMPA receptor of rat cortical membrane 1826744

Literature References

PubMed DOI Target Context # Activities
1826744 10.1021/jm00108a002 Glutamate NMDA receptor 3
1826744 10.1021/jm00108a002 Glutamate receptor ionotropic, AMPA 2
1826744 10.1021/jm00108a002 Glutamate receptor ionotropic, kainate 2

Data from ChEMBL 36 via Core Engine