Compound Detail
CHEMBL2381652
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Basic Information
| ChEMBL ID | CHEMBL2381652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLYANNSIDDXEGE-RTHBWCHNSA-N |
4
Targets
4
Activities
1
Assay Types
17
PK Parameters
5
Publications
0
Known Names
Molecular Properties
203.2
MW (Da)
-0.54
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 3 CHEMBL2888 | EC50 | 9.62 | 9.62 | 0.2 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | EC50 | 9.25 | 9.25 | 0.6 | 1 |
| Metabotropic glutamate receptor 6 CHEMBL4573 | EC50 | 5.85 | 5.85 | 1410.0 | 1 |
| Metabotropic glutamate receptor 8 CHEMBL3228 | EC50 | 4.94 | 4.94 | 11500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4794.81 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2173.92 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 566.84 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3392.94 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 14.8 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 7940.0 | nM | Rattus norvegicus |
| Cmax | 3940.0 | nM | Rattus norvegicus |
| Cmax | 713.0 | nM | Rattus norvegicus |
| F | 64.4 | % | Rattus norvegicus |
| T1/2 | 5.9 | hr | Rattus norvegicus |
| T1/2 | 3.5 | hr | Rattus norvegicus |
| T1/2 | 2.7 | hr | Rattus norvegicus |
| T1/2 | 7.3 | hr | Rattus norvegicus |
| Tmax | 2.0 | hr | Rattus norvegicus |
| Tmax | 1.8 | hr | Rattus norvegicus |
| Tmax | 2.5 | hr | Rattus norvegicus |
| Tmax | - | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 3 | EC50 | = | 0.24 | nM | 9.62 | Agonist activity at human mGlu3 receptor expressed in golden Syrian hamster AV12... | 23675965 |
| Metabotropic glutamate receptor 2 | EC50 | = | 0.56 | nM | 9.25 | Agonist activity at human mGlu2 receptor expressed in golden Syrian hamster AV12... | 23675965 |
| Metabotropic glutamate receptor 6 | EC50 | = | 1410.0 | nM | 5.85 | Agonist activity at human mGlu6 receptor expressed in golden Syrian hamster AV12... | 23675965 |
| Metabotropic glutamate receptor 8 | EC50 | = | 11500.0 | nM | 4.94 | Agonist activity at human mGlu8 receptor expressed in golden Syrian hamster AV12... | 23675965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23675965 | 10.1021/jm4000165 | Rattus norvegicus | 23 |
| 23675965 | 10.1021/jm4000165 | Metabotropic glutamate receptor 8 | 2 |
| 23675965 | 10.1021/jm4000165 | Metabotropic glutamate receptor 6 | 2 |
| 23675965 | 10.1021/jm4000165 | Metabotropic glutamate receptor 3 | 2 |
| 23675965 | 10.1021/jm4000165 | Metabotropic glutamate receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine