Compound Detail
CHEMBL2312683
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Basic Information
| ChEMBL ID | CHEMBL2312683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMZWGONYFYNQHE-UHNVWZDZSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
234.2
MW (Da)
-1.23
ALogP
5
HBA
5
HBD
149.9
PSA (Ų)
0.27
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.88
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 CHEMBL2919 | Ki | 7.88 | 7.88 | 13.1 | 1 |
| Glutamate receptor ionotropic, kainate 3 CHEMBL3744 | Ki | 6.62 | 6.62 | 239.0 | 1 |
| Glutamate receptor ionotropic, kainate 2 CHEMBL3607 | Ki | 5.49 | 5.49 | 3270.0 | 1 |
| Glutamate receptor 2 CHEMBL3503 | Ki | 4.25 | 4.25 | 56500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 13.1 | nM | 7.88 | Displacement of [3H]-(2S,4R)-4-methylglutamic acid from full length recombinant ... | 23414088 |
| Glutamate receptor ionotropic, kainate 3 | Ki | = | 239.0 | nM | 6.62 | Displacement of [3H]-(2S,4R)-4-methylglutamic acid from full length recombinant ... | 23414088 |
| Glutamate receptor ionotropic, kainate 2 | Ki | = | 3270.0 | nM | 5.49 | Displacement of [3H]-(2S,4R)-4-methylglutamic acid from full length recombinant ... | 23414088 |
| Glutamate receptor 2 | Ki | = | 56500.0 | nM | 4.25 | Displacement of [3H]AMPA from full length recombinant rat GluKA2(R) receptor exp... | 23414088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23414088 | 10.1021/jm301433m | Unchecked | 2 |
| 23414088 | 10.1021/jm301433m | Excitatory amino acid transporter 3 | 1 |
| 23414088 | 10.1021/jm301433m | Excitatory amino acid transporter 2 | 1 |
| 23414088 | 10.1021/jm301433m | Excitatory amino acid transporter 1 | 1 |
| 23414088 | 10.1021/jm301433m | Glutamate receptor ionotropic, kainate 3 | 1 |
| 23414088 | 10.1021/jm301433m | Glutamate receptor ionotropic, kainate 2 | 1 |
| 23414088 | 10.1021/jm301433m | Glutamate receptor ionotropic, kainate 1 | 1 |
| 23414088 | 10.1021/jm301433m | Glutamate receptor 2 | 1 |
| 23414088 | 10.1021/jm301433m | Glutamate NMDA receptor | 1 |
| 26814576 | 10.1021/acs.jmedchem.5b01333 | Metabotropic glutamate receptor 7 | 1 |
| 26814576 | 10.1021/acs.jmedchem.5b01333 | Metabotropic glutamate receptor 4 | 1 |
| 26814576 | 10.1021/acs.jmedchem.5b01333 | Metabotropic glutamate receptor 3 | 1 |
| 26814576 | 10.1021/acs.jmedchem.5b01333 | Metabotropic glutamate receptor 1 | 1 |
| 26814576 | 10.1021/acs.jmedchem.5b01333 | Metabotropic glutamate receptor 5 | 1 |
| 26814576 | 10.1021/acs.jmedchem.5b01333 | Metabotropic glutamate receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine