Compound Detail
CHEMBL183864
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Basic Information
| ChEMBL ID | CHEMBL183864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUYKOGNLETXYOL-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
6
PK Parameters
3
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
3.31
ALogP
4
HBA
0
HBD
38.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Ki 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL2564 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 29.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 29.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 800.0 | nM | Rattus norvegicus |
| F | 26.0 | % | Rattus norvegicus |
| F | 26.0 | % | Rattus norvegicus |
| T1/2 | 1.6 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | Ki | = | 1.0 | nM | 9.0 | Displacement by compound of [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from r... | 15225713 |
| Metabotropic glutamate receptor 5 | IC50 | = | 3.0 | nM | 8.52 | In vitro potency against human recombinant mGlu5 receptor was determined by [Ca2... | 15225713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15225713 | 10.1016/j.bmcl.2004.05.037 | ADMET | 6 |
| 15225713 | 10.1016/j.bmcl.2004.05.037 | Metabotropic glutamate receptor 5 | 2 |
| 15225713 | 10.1016/j.bmcl.2004.05.037 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine