Compound Detail
CHEMBL1951872
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Basic Information
| ChEMBL ID | CHEMBL1951872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSWPNNVNUYUWQF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
386.3
MW (Da)
4.40
ALogP
5
HBA
1
HBD
46.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.1
Ki 1 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL3772 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL4477 | Ki | 8.21 | 8.21 | 6.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | IC50 | = | 0.8 | nM | 9.1 | Antagonist activity at human metabotropic glutamate receptor 1 | 22266036 |
| Metabotropic glutamate receptor 1 | Ki | = | 6.1 | nM | 8.21 | Antagonist activity at rat metabotropic glutamate receptor 1 | 22266036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22266036 | 10.1016/j.bmcl.2011.12.131 | Metabotropic glutamate receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine