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Compound Detail

CHEMBL155437

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Oc1nc2c(n3ccnc13)Cc1c(Cl)cccc1-2

Basic Information

ChEMBL ID CHEMBL155437
Phase Preclinical
Structure Type MOL
InChI Key TVDSTYNNWCRLCV-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

257.7
MW (Da)
2.66
ALogP
4
HBA
1
HBD
50.4
PSA (Ų)
0.53
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 C13H8ClN3O
MW 257.68
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.76

Activity Summary

IC50 2 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 4.77 4.77 17000.0 1
Glutamate NMDA receptor
CHEMBL1907608
IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10741560 10.1016/s0960-894x(00)00054-8 Glutamate receptor ionotropic, AMPA 1
10741560 10.1016/s0960-894x(00)00054-8 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine