Compound Detail
CHEMBL568443
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Basic Information
| ChEMBL ID | CHEMBL568443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYDVTBHNZHBCKX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
4
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
IC50 2 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 CHEMBL3772 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.5 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 100.0 | % | Rattus norvegicus |
| T1/2 | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | IC50 | = | 3.6 | nM | 8.44 | Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes ass... | 19692242 |
| Metabotropic glutamate receptor 5 | IC50 | = | 2800.0 | nM | 5.55 | Antagonist activity at human mGluR5 receptor expressed in CHO cell membranes ass... | 19692242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19692242 | 10.1016/j.bmcl.2009.07.145 | Rattus norvegicus | 3 |
| 19692242 | 10.1016/j.bmcl.2009.07.145 | Metabotropic glutamate receptor 1 | 1 |
| 19692242 | 10.1016/j.bmcl.2009.07.145 | Metabotropic glutamate receptor 5 | 1 |
| 19692242 | 10.1016/j.bmcl.2009.07.145 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine