Compound Detail
CHEMBL41221
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Basic Information
| ChEMBL ID | CHEMBL41221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRKRAOXTGDJWNI-IMJSIDKUSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
161.2
MW (Da)
-0.49
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.7
IC50 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate CHEMBL2094119 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL3772 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate | IC50 | = | 310.0 | nM | 6.51 | Ability to inhibit [3H]-KA binding to Ionotropic glutamate receptor kainate from... | 7629789 |
| Metabotropic glutamate receptor 2 | Ki | = | 2000.0 | nM | 5.7 | Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2). | 10893301 |
| Metabotropic glutamate receptor 1 | Ki | = | 10000.0 | nM | 5.0 | Agonist potency against cloned human metabotropic glutamate receptor 1 | 10893301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7629789 | 10.1021/jm00014a002 | Glutamate receptor 1 | 2 |
| 10229625 | 10.1021/jm980571q | Metabotropic glutamate receptor 1 | 1 |
| 10229625 | 10.1021/jm980571q | Metabotropic glutamate receptor 2 | 1 |
| 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 |
| 7629789 | 10.1021/jm00014a002 | Glutamate receptor ionotropic, kainate | 1 |
Data from ChEMBL 36 via Core Engine