Compound Detail
CHEMBL94631
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Basic Information
| ChEMBL ID | CHEMBL94631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGIKDIUCJAUSRD-QMMMGPOBSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
209.2
MW (Da)
0.78
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 4 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL3772 | IC50 | 5.1 | 4.985 | 8000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | IC50 | = | 8000.0 | nM | 5.1 | Negative allosteric modulation of human mGluR1alpha expressed in syrian hamster ... | 25638496 |
| Metabotropic glutamate receptor 1 | IC50 | = | 8800.0 | nM | 5.06 | Compound was tested for functional response of human metabotropic glutamate rece... | - |
| Metabotropic glutamate receptor 1 | IC50 | = | 8800.0 | nM | 5.06 | Compound was tested for its agonist activity against Ser165 and Thr188 (Metabotr... | 10639281 |
| Metabotropic glutamate receptor 1 | IC50 | = | 19000.0 | nM | 4.72 | Compound was tested for functional response of human metabotropic glutamate rece... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10071-3 | Metabotropic glutamate receptor 1 | 3 |
| - | 10.1016/S0960-894X(97)10071-3 | Metabotropic glutamate receptor 5 | 3 |
| 10639281 | 10.1021/jm990353c | Metabotropic glutamate receptor 1 | 1 |
| 10639281 | 10.1021/jm990353c | Metabotropic glutamate receptor 5 | 1 |
| 25638496 | 10.1016/j.bmc.2014.12.034 | Metabotropic glutamate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine