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Compound Detail

CHEMBL341000

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Oc1nc2ccc3c(c2nc1O)CCCN3

Basic Information

ChEMBL ID CHEMBL341000
Phase Preclinical
Structure Type MOL
InChI Key OWVOPDLAKSFZPS-UHFFFAOYSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

217.2
MW (Da)
1.40
ALogP
5
HBA
3
HBD
78.3
PSA (Ų)
0.62
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 C11H11N3O2
MW 217.23
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.27

Activity Summary

IC50 5 meas. best 5.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, kainate
CHEMBL2094119
IC50 5.05 5.05 8900.0 2
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 4.62 4.62 24000.0 2
Glutamate receptor ionotropic AMPA
CHEMBL2096670
IC50 4.62 4.62 24000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7562904 10.1021/jm00019a003 Glutamate receptor ionotropic, AMPA 2
7562904 10.1021/jm00019a003 Glutamate receptor ionotropic, kainate 2
- 10.1016/S0960-894X(97)00239-4 Glutamate receptor ionotropic AMPA 1

Data from ChEMBL 36 via Core Engine