Compound Detail
CHEMBL1097939
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Basic Information
| ChEMBL ID | CHEMBL1097939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIALBPYHYGYYRB-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
3.80
ALogP
3
HBA
1
HBD
70.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor 2 CHEMBL4016 | EC50 | 6.82 | 5.83 | 150.0 | 4 |
| Unchecked CHEMBL612545 | EC50 | 6.68 | 6.68 | 210.0 | 1 |
| Glutamate receptor 3 CHEMBL3595 | EC50 | 5.78 | 5.78 | 1660.0 | 1 |
| Glutamate receptor 1 CHEMBL2009 | EC50 | 5.25 | 5.25 | 5650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor 2 | EC50 | = | 150.0 | nM | 6.82 | Activity at human recombinant GluA2 receptor flip isoform expressed in HEK293 ce... | 20096591 |
| Unchecked | EC50 | = | 210.0 | nM | 6.68 | Activity at human recombinant GluA4 receptor flip isoform expressed in HEK293 ce... | 20096591 |
| Glutamate receptor 2 | EC50 | = | 1440.0 | nM | 5.84 | Activity at human recombinant GluA2 receptor flop isoform expressed in HEK293 ce... | 20096591 |
| Glutamate receptor 2 | EC50 | = | 1440.0 | nM | 5.84 | Activity at human recombinant GluA2 flop isoform expressed in HEK203 cells asses... | 20096591 |
| Glutamate receptor 3 | EC50 | = | 1660.0 | nM | 5.78 | Activity at human recombinant GluA3 receptor flip isoform expressed in HEK293 ce... | 20096591 |
| Glutamate receptor 1 | EC50 | = | 5650.0 | nM | 5.25 | Activity at human recombinant GluA1 receptor flip isoform expressed in HEK293 ce... | 20096591 |
| Glutamate receptor 2 | EC50 | = | 15000.0 | nM | 4.82 | Activity at human recombinant GluA2 flip isoform expressed in HEK203 cells asses... | 20096591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20096591 | 10.1016/j.bmc.2009.12.072 | Glutamate receptor 2 | 4 |
| 20096591 | 10.1016/j.bmc.2009.12.072 | Unchecked | 2 |
| 20096591 | 10.1016/j.bmc.2009.12.072 | Glutamate receptor 1 | 1 |
| 20096591 | 10.1016/j.bmc.2009.12.072 | Glutamate receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine