Compound Detail
CHEMBL1645352
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Basic Information
| ChEMBL ID | CHEMBL1645352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTUBNVSZHGWRCV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
3.33
ALogP
5
HBA
0
HBD
56.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL2892 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL3772 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | IC50 | = | 1.4 | nM | 8.85 | Binding affinity to mouse mGluR1 | 21172734 |
| Metabotropic glutamate receptor 1 | IC50 | = | 3.6 | nM | 8.44 | Binding affinity to human mGluR1 | 21172734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21172734 | 10.1016/j.bmc.2010.11.048 | Metabotropic glutamate receptor 1 | 6 |
Data from ChEMBL 36 via Core Engine