Compound Detail
CHEMBL441844
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Basic Information
| ChEMBL ID | CHEMBL441844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAWKZJXFVLTRIY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
3.89
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL4477 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL3772 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | IC50 | = | 15.0 | nM | 7.82 | Inhibitory concentration against rat metabotropic glutamate receptor 1 | 15771457 |
| Homo sapiens | IC50 | = | 60.0 | nM | 7.22 | In vitro metabolic stability of compound was tested in human liver microsomes | 15771457 |
| Metabotropic glutamate receptor 1 | IC50 | = | 85.0 | nM | 7.07 | Inhibitory concentration against human metabotropic glutamate receptor | 15771457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771457 | 10.1021/jm049499o | Metabotropic glutamate receptor 1 | 2 |
| 15771457 | 10.1021/jm049499o | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine