Compound Detail
CHEMBL1645351
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Basic Information
| ChEMBL ID | CHEMBL1645351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQINBUDFKZIGCN-BJUDXGSMSA-N |
| Parent Compound | CHEMBL2068815 |
| Active Moiety | CHEMBL2068815 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
4.03
ALogP
6
HBA
0
HBD
50.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL3772 | Ki | 8.32 | 8.32 | 4.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | Ki | = | 4.8 | nM | 8.32 | Binding affinity to mGluR1 | 21172734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21172734 | 10.1016/j.bmc.2010.11.048 | Metabotropic glutamate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine