Compound Detail
CHEMBL41013
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Basic Information
| ChEMBL ID | CHEMBL41013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFACHLANPCGTFI-FVSJBQLASA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
173.2
MW (Da)
-0.49
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.11
Ki 1 meas. best 4.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL2851 | IC50 | 4.11 | 4.11 | 77000.0 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | Ki | 4.08 | 4.08 | 84000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | IC50 | = | 77000.0 | nM | 4.11 | Inhibitory activity against Metabotropic glutamate receptor 2 in the rat HEK 293... | 10229625 |
| Metabotropic glutamate receptor 2 | Ki | = | 84000.0 | nM | 4.08 | Antagonist potency against cloned Metabotropic glutamate receptor 2 | 10893301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 2 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine