Compound Detail
CHEMBL315663
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Basic Information
| ChEMBL ID | CHEMBL315663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQDSYQNNYIFHKU-ZETCQYMHSA-N |
5
Targets
7
Activities
3
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
0.68
ALogP
5
HBA
3
HBD
109.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.32
EC50 2 meas. best 4.77
Ki 2 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2096617 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 4.77 | 4.77 | 17000.0 | 2 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | Ki | 4.01 | 4.01 | 97000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA | IC50 | = | 480.0 | nM | 6.32 | Compound was tested for in vitro binding affinity against Ionotropic glutamate r... | 9526567 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 480.0 | nM | 6.32 | Binding affinity for AMPA receptor using [3H]AMPA | 11297452 |
| Unchecked | IC50 | = | 640.0 | nM | 6.19 | In vitro binding affinity against Metabotropic glutamate receptor using [3H](S)-... | 9526567 |
| Rattus norvegicus | EC50 | = | 17000.0 | nM | 4.77 | Compound was tested for electrophysiological experiments using rat cortical wedg... | 9526567 |
| Rattus norvegicus | EC50 | = | 17000.0 | nM | 4.77 | Excitatory activity in the rat cortical slice model. | 11297452 |
| Metabotropic glutamate receptor 5 | Ki | = | 97000.0 | nM | 4.01 | Agonist potency against cloned metabotropic glutamate receptor 5 | 10893301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9526567 | 10.1021/jm9706731 | Mus musculus | 2 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 1 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 2 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 4 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 5 | 1 |
| 9526567 | 10.1021/jm9706731 | Glutamate receptor ionotropic, AMPA | 1 |
| 9526567 | 10.1021/jm9706731 | Unchecked | 1 |
| 9526567 | 10.1021/jm9706731 | Rattus norvegicus | 1 |
| 11297452 | 10.1021/jm000441t | Glutamate receptor ionotropic, AMPA | 1 |
| 11297452 | 10.1021/jm000441t | Glutamate NMDA receptor | 1 |
| 11297452 | 10.1021/jm000441t | Glutamate receptor ionotropic, kainate | 1 |
| 11297452 | 10.1021/jm000441t | Rattus norvegicus | 1 |
| 11297452 | 10.1021/jm000441t | Metabotropic glutamate receptor 1 | 1 |
| 11297452 | 10.1021/jm000441t | Metabotropic glutamate receptor 5 | 1 |
| 11297452 | 10.1021/jm000441t | Metabotropic glutamate receptor 2 | 1 |
| 11297452 | 10.1021/jm000441t | Metabotropic glutamate receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine