Compound Detail
CHEMBL299683
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Basic Information
| ChEMBL ID | CHEMBL299683 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNCAZYRLRMTVSF-UHFFFAOYSA-N |
2
Targets
14
Activities
3
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
209.2
MW (Da)
0.64
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 4.3
Ki 4 meas. best 4.3
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL3772 | Ki | 4.3 | 4.3 | 50000.0 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | Ki | 4.29 | 4.29 | 51000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | IC50 | = | 50000.0 | nM | 4.3 | Antagonistic activity against mGluR2 was determined | 8667369 |
| Metabotropic glutamate receptor 1 | Ki | = | 50000.0 | nM | 4.3 | Binding affinity towards mGluR1a was determined | 8667369 |
| Metabotropic glutamate receptor 2 | Ki | = | 51000.0 | nM | 4.29 | Antagonist potency against cloned Metabotropic glutamate receptor 2 | 10893301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11277518 | 10.1016/s0960-894x(01)00052-x | Unchecked | 3 |
| 11459661 | 10.1016/s0960-894x(01)00329-8 | Metabotropic glutamate receptor 3 | 2 |
| 11459661 | 10.1016/s0960-894x(01)00329-8 | Metabotropic glutamate receptor 2 | 2 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 2 | 2 |
| 10411492 | 10.1021/jm990128v | Unchecked | 2 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 8667369 | 10.1021/jm960059+ | Metabotropic glutamate receptor 1 | 1 |
| 8667369 | 10.1021/jm960059+ | Metabotropic glutamate receptor 2 | 1 |
| - | 10.1016/0960-894X(96)00104-7 | Metabotropic glutamate receptor 1 | 1 |
| 10411492 | 10.1021/jm990128v | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-1 | 1 |
| 7562903 | 10.1021/jm00019a002 | Metabotropic glutamate receptor 4 | 1 |
| 7562903 | 10.1021/jm00019a002 | Metabotropic glutamate receptor 2 | 1 |
| 7562903 | 10.1021/jm00019a002 | Metabotropic glutamate receptor 1 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 5 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 4 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 1 | 1 |
| 8831765 | 10.1021/jm9601718 | Metabotropic glutamate receptor 1 | 1 |
| 11459661 | 10.1016/s0960-894x(01)00329-8 | Metabotropic glutamate receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine