Compound Detail
CHEMBL105076
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Basic Information
| ChEMBL ID | CHEMBL105076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQLIWPPPMPRBNN-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.5
MW (Da)
3.37
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.28
IC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Glutamate receptor 4 CHEMBL3190 | EC50 | 6.28 | 6.28 | 520.0 | 1 |
| Glutamate receptor 2 CHEMBL4016 | EC50 | 6.28 | 6.28 | 520.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | EC50 | 5.26 | 4.885 | 5500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA | IC50 | = | 170.0 | nM | 6.77 | Inhibition of binding to AMPA receptor from rat cerebral cortex | 11462971 |
| Glutamate receptor 4 | EC50 | = | 520.0 | nM | 6.28 | Inhibition of GluR4 expressed in HEK293 cells | 20839777 |
| Glutamate receptor 2 | EC50 | = | 520.0 | nM | 6.28 | Agonist activity at GluR2 receptor | 20839777 |
| Glutamate receptor ionotropic, AMPA | EC50 | = | 5500.0 | nM | 5.26 | Effective concentration of AMPA required to increase specific binding of [3H]6 t... | 11462971 |
| Glutamate receptor ionotropic, AMPA | EC50 | = | 31000.0 | nM | 4.51 | Effective concentration of glutamate required to increase specific binding of [3... | 11462971 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11462971 | 10.1021/jm000462n | Glutamate receptor ionotropic, AMPA | 3 |
| 20839777 | 10.1021/jm1000419 | Glutamate receptor 4 | 1 |
| 20839777 | 10.1021/jm1000419 | Glutamate receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine