Compound Detail
CHEMBL5266235
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Basic Information
| ChEMBL ID | CHEMBL5266235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKLUNKKXISSMIY-IWEFOYFVSA-N |
2
Targets
2
Activities
1
Assay Types
12
PK Parameters
10
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
2.59
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 7 CHEMBL3966 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Metabotropic glutamate receptor 7 CHEMBL3777 | EC50 | 8.15 | 8.15 | 7.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1404.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 3.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 2.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 18.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 145.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 10.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 1240.0 | nM | Rattus norvegicus |
| F | 24.0 | % | Rattus norvegicus |
| Fu | 0.283 | - | Rattus norvegicus |
| Fu | 0.227 | - | Rattus norvegicus |
| T1/2 | 2.25 | hr | Rattus norvegicus |
| Tmax | 0.67 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 7 | EC50 | = | 2.0 | nM | 8.7 | Agonist activity at mouse mGluR7 expressed in CHO cells expressing CRE-Luc repor... | 37077399 |
| Metabotropic glutamate receptor 7 | EC50 | = | 7.0 | nM | 8.15 | Agonist activity at human mGluR7 expressed in CHO cells expressing CRE-Luc repor... | 37077399 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37077399 | 10.1021/acsmedchemlett.2c00529 | ADMET | 17 |
| 37077399 | 10.1021/acsmedchemlett.2c00529 | Metabotropic glutamate receptor 7 | 6 |
| 37077399 | 10.1021/acsmedchemlett.2c00529 | Rattus norvegicus | 3 |
| 37077399 | 10.1021/acsmedchemlett.2c00529 | Metabotropic glutamate receptor 4 | 1 |
| 37077399 | 10.1021/acsmedchemlett.2c00529 | Metabotropic glutamate receptor 2 | 1 |
| 37077399 | 10.1021/acsmedchemlett.2c00529 | Metabotropic glutamate receptor 6 | 1 |
| 37077399 | 10.1021/acsmedchemlett.2c00529 | Metabotropic glutamate receptor 8 | 1 |
| 37077399 | 10.1021/acsmedchemlett.2c00529 | Metabotropic glutamate receptor 1 | 1 |
| 37077399 | 10.1021/acsmedchemlett.2c00529 | Metabotropic glutamate receptor 3 | 1 |
| 37077399 | 10.1021/acsmedchemlett.2c00529 | Metabotropic glutamate receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine