Compound Detail
CHEMBL399602
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Basic Information
| ChEMBL ID | CHEMBL399602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCKTZIBCJPYKHO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
3.87
ALogP
5
HBA
0
HBD
57.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.39
IC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 4 group A member 2 CHEMBL5002 | EC50 | 8.39 | 8.39 | 4.1 | 1 |
| Metabotropic glutamate receptor 7 CHEMBL3879 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 4 group A member 2 | EC50 | = | 4.1 | nM | 8.39 | Activation of Nurr1 expressed in MN9D cells by luciferase reporter gene assay | 17035009 |
| Metabotropic glutamate receptor 7 | IC50 | = | 22.0 | nM | 7.66 | Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition ... | 20005101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17035009 | 10.1016/j.bmcl.2006.09.062 | Nuclear receptor subfamily 4 group A member 2 | 2 |
| 20005101 | 10.1016/j.bmcl.2009.11.070 | Metabotropic glutamate receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine