Compound Detail
CHEMBL180964
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Basic Information
| ChEMBL ID | CHEMBL180964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQPDVUHMHZDBEK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
2.05
ALogP
4
HBA
2
HBD
75.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 CHEMBL3227 | IC50 | 8.15 | 8.15 | 7.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 100.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | - | % | Rattus norvegicus |
| T1/2 | - | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 5 | IC50 | = | 7.0 | nM | 8.15 | Inhibitory concentration against human recombinant metabotropic glutamate recept... | 15686941 |
| Metabotropic glutamate receptor 5 | IC50 | = | 7.0 | nM | 8.15 | In vitro potency against calcium flux in Ltk cells expressing human recombinant ... | 16039855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686941 | 10.1016/j.bmcl.2004.11.078 | ADMET | 3 |
| 15686941 | 10.1016/j.bmcl.2004.11.078 | Metabotropic glutamate receptor 5 | 1 |
| 16039855 | 10.1016/j.bmcl.2005.06.059 | Metabotropic glutamate receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine