Compound Detail
CHEMBL310897
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Basic Information
| ChEMBL ID | CHEMBL310897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEGZVBVIVYRNHK-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
255.2
MW (Da)
0.46
ALogP
7
HBA
3
HBD
122.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.03
EC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 7.03 | 7.03 | 94.0 | 1 |
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | IC50 | 7.03 | 7.03 | 94.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Glutamate receptor ionotropic, kainate CHEMBL2094119 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| Glutamate receptor ionotropic kainate CHEMBL2109241 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA | IC50 | = | 94.0 | nM | 7.03 | Ability to inhibit the binding of [3H]AMPA radioligand to Ionotropic glutamate r... | 9651156 |
| Glutamate receptor ionotropic AMPA | IC50 | = | 94.0 | nM | 7.03 | In vitro binding affinity against Ionotropic glutamate receptor AMPA using [3H]A... | 9288165 |
| Glutamate receptor ionotropic, AMPA | EC50 | = | 2300.0 | nM | 5.64 | Agonist effect for Ionotropic glutamate receptor AMPA was determined from in vit... | 9651156 |
| Rattus norvegicus | EC50 | = | 2300.0 | nM | 5.64 | Electrophysiological study in rat cortical slice model | 9288165 |
| Glutamate receptor ionotropic, kainate | IC50 | = | 4900.0 | nM | 5.31 | Ability to inhibit the binding of [3H]-kainic acid radioligand to Ionotropic glu... | 9651156 |
| Glutamate receptor ionotropic kainate | IC50 | = | 4900.0 | nM | 5.31 | In vitro binding affinity against Ionotropic glutamate receptor kainate (kainic ... | 9288165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9651156 | 10.1021/jm9801206 | Glutamate receptor ionotropic, AMPA | 2 |
| 9651156 | 10.1021/jm9801206 | Glutamate receptor ionotropic, kainate | 1 |
| 9651156 | 10.1021/jm9801206 | Glutamate NMDA receptor | 1 |
| 9288165 | 10.1021/jm970253b | Glutamate receptor ionotropic AMPA | 1 |
| 9288165 | 10.1021/jm970253b | Glutamate receptor ionotropic kainate | 1 |
| 9288165 | 10.1021/jm970253b | Glutamate [NMDA] receptor | 1 |
| 9288165 | 10.1021/jm970253b | Rattus norvegicus | 1 |
| 9288165 | 10.1021/jm970253b | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine