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Compound Detail

CHEMBL333116

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Oc1nc2cc(Br)c3c(c2nc1O)CCCN3

Basic Information

ChEMBL ID CHEMBL333116
Phase Preclinical
Structure Type MOL
InChI Key OGAMMKNNYFJESR-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.1
MW (Da)
2.16
ALogP
5
HBA
3
HBD
78.3
PSA (Ų)
0.69
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 C11H10BrN3O2
MW 296.12
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.30

Activity Summary

IC50 2 meas. best 5.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 5.05 5.05 9000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7562904 10.1021/jm00019a003 Glutamate receptor ionotropic, AMPA 2

Data from ChEMBL 36 via Core Engine