Compound Detail
CHEMBL1645349
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Basic Information
| ChEMBL ID | CHEMBL1645349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYDVTBHNZHBCKX-LRFGSCOBSA-N |
| Parent Compound | CHEMBL568443 |
| Active Moiety | CHEMBL568443 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
3.14
ALogP
5
HBA
0
HBD
63.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL3772 | Ki | 9.4 | 9.4 | 0.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | Ki | = | 0.4 | nM | 9.4 | Binding affinity to mGluR1 | 21172734 |
| Metabotropic glutamate receptor 1 | Ki | = | 0.4 | nM | 9.4 | Binding affinity to mGluR1 by PET analysis | 21470858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21172734 | 10.1016/j.bmc.2010.11.048 | Metabotropic glutamate receptor 1 | 1 |
| 21470858 | 10.1016/j.bmcl.2011.03.046 | Metabotropic glutamate receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine