Compound Detail
CHEMBL5285249
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Basic Information
| ChEMBL ID | CHEMBL5285249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLOBFEKJZJYISQ-JBBXEZCESA-N |
1
Targets
1
Activities
1
Assay Types
12
PK Parameters
2
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
2.76
ALogP
3
HBA
1
HBD
63.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 7 CHEMBL3777 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 529.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 0.01 | mL.min-1.g-1 | Homo sapiens |
| CL | 0.01 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 14.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 27.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 18.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 600.0 | nM | Rattus norvegicus |
| F | 19.0 | % | Rattus norvegicus |
| Fu | 0.279 | - | Rattus norvegicus |
| Fu | 0.247 | - | Rattus norvegicus |
| T1/2 | 1.54 | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 7 | EC50 | = | 6.0 | nM | 8.22 | 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 | 2 |
Data from ChEMBL 36 via Core Engine