Compound Detail
CHEMBL3287695
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Basic Information
| ChEMBL ID | CHEMBL3287695 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJICBRVIAXTUNH-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
11
PK Parameters
14
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
4.87
ALogP
6
HBA
2
HBD
102.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL2851 | EC50 | 7.92 | 7.3833 | 12.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| Metabotropic glutamate receptor 3 CHEMBL3067 | EC50 | 6.21 | 5.98 | 614.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 9143.82 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2185.65 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 14.58 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 2750.0 | nM | Rattus norvegicus |
| Cmax | 6430.0 | nM | Rattus norvegicus |
| F | 41.9 | % | Rattus norvegicus |
| T1/2 | 7.85 | hr | Rattus norvegicus |
| T1/2 | 0.4667 | hr | Rattus norvegicus |
| T1/2 | 0.7167 | hr | Rattus norvegicus |
| Tmax | 1.5 | hr | Rattus norvegicus |
| Tmax | 30.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | EC50 | = | 12.0 | nM | 7.92 | Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293A cells... | 24735492 |
| Metabotropic glutamate receptor 2 | EC50 | = | 40.0 | nM | 7.4 | Positive allosteric modulation of rat mGluR2 receptor expressed in HEK293 cells ... | 24735492 |
| Unchecked | EC50 | = | 40.0 | nM | 7.4 | mGlu Receptor In Vitro Assays: Human Embryonic Kidney (HEK-293) cell lines co-ex... | - |
| Metabotropic glutamate receptor 2 | EC50 | = | 148.0 | nM | 6.83 | Agonist activity at rat mGluR2 receptor expressed in HEK293 cells assessed as th... | 24735492 |
| Metabotropic glutamate receptor 3 | EC50 | = | 614.0 | nM | 6.21 | Positive allosteric modulation of rat mGluR3 receptor expressed in HEK293 cells ... | 24735492 |
| Metabotropic glutamate receptor 3 | EC50 | = | 1771.0 | nM | 5.75 | Positive allosteric modulation of rat mGluR3 receptor expressed in TREx293 cells... | 24735492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24735492 | 10.1021/jm5000563 | Metabotropic glutamate receptor 2 | 12 |
| 24735492 | 10.1021/jm5000563 | Rattus norvegicus | 12 |
| 24735492 | 10.1021/jm5000563 | Metabotropic glutamate receptor 3 | 9 |
| 24735492 | 10.1021/jm5000563 | Plasma | 3 |
| 24735492 | 10.1021/jm5000563 | Nucleic Acid | 3 |
| 24735492 | 10.1021/jm5000563 | Brain | 2 |
| 24735492 | 10.1021/jm5000563 | No relevant target | 1 |
| 24735492 | 10.1021/jm5000563 | Liver microsome | 1 |
| 24735492 | 10.1021/jm5000563 | Metabotropic glutamate receptor 1 | 1 |
| 24735492 | 10.1021/jm5000563 | Metabotropic glutamate receptor 4 | 1 |
| 24735492 | 10.1021/jm5000563 | Metabotropic glutamate receptor 5 | 1 |
| 24735492 | 10.1021/jm5000563 | Metabotropic glutamate receptor 6 | 1 |
| 24735492 | 10.1021/jm5000563 | Metabotropic glutamate receptor 7 | 1 |
| 24735492 | 10.1021/jm5000563 | Metabotropic glutamate receptor 8 | 1 |
Data from ChEMBL 36 via Core Engine