Compound Detail
CHEMBL313124
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Basic Information
| ChEMBL ID | CHEMBL313124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RISZHZAENDJETH-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
225.2
MW (Da)
0.48
ALogP
4
HBA
4
HBD
120.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.22
Ki 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL3772 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL3772 | Ki | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | IC50 | = | 6000.0 | nM | 5.22 | Compound was tested for functional response of human metabotropic glutamate rece... | - |
| Metabotropic glutamate receptor 1 | Ki | = | 6000.0 | nM | 5.22 | Agonist potency against cloned human metabotropic glutamate receptor 1 | 10893301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 1 | 1 |
| 10893301 | 10.1021/jm000007r | Metabotropic glutamate receptor 5 | 1 |
| - | 10.1016/S0960-894X(97)10071-3 | Metabotropic glutamate receptor 1 | 1 |
| - | 10.1016/S0960-894X(97)10071-3 | Metabotropic glutamate receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine