Compound Detail
CHEMBL1784070
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Basic Information
| ChEMBL ID | CHEMBL1784070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKUDURGNHUAQTM-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.3
MW (Da)
3.20
ALogP
7
HBA
1
HBD
72.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.17
Ki 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL3772 | IC50 | 8.17 | 8.17 | 6.8 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL4477 | Ki | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | IC50 | = | 6.8 | nM | 8.17 | Antagonist activity at human mGluR1 | 19433355 |
| Metabotropic glutamate receptor 1 | Ki | = | 29.0 | nM | 7.54 | Antagonist activity at rat mGluR1 | 19433355 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19433355 | 10.1016/j.bmcl.2009.04.104 | Metabotropic glutamate receptor 1 | 2 |
| 19433355 | 10.1016/j.bmcl.2009.04.104 | Metabotropic glutamate receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine