Compound Detail
CHEMBL3950572
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Basic Information
| ChEMBL ID | CHEMBL3950572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSZAXBGUMAMQQB-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
3.72
ALogP
4
HBA
1
HBD
81.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.15
Ki 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| Metabotropic glutamate receptor 2 CHEMBL5137 | IC50 | 8.15 | 8.15 | 7.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | Ki | = | 1.4 | nM | 8.85 | Binding affinity to human mGluR2 expressed in cell membrane incubated for 1 hr i... | 37465306 |
| Metabotropic glutamate receptor 2 | IC50 | = | 7.0 | nM | 8.15 | Biological Assay: The utility of the compounds in accordance with the present in... | - |
| Metabotropic glutamate receptor 2 | IC50 | = | 7.0 | nM | 8.15 | Negative allosteric modulation at human mGluR2 receptor stably expressed in DHFR... | 37583812 |
| Metabotropic glutamate receptor 2 | IC50 | = | 7.0 | nM | 8.15 | Biological Assay: The utility of the compounds in accordance with the present in... | - |
| Metabotropic glutamate receptor 2 | IC50 | = | 7.0 | nM | 8.15 | Biological Assay: The utility of the compounds in accordance with the present in... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37465306 | 10.1021/acsmedchemlett.3c00175 | ATP-dependent translocase ABCB1 | 2 |
| 37465306 | 10.1021/acsmedchemlett.3c00175 | ADMET | 2 |
| 37583812 | 10.1021/acsmedchemlett.3c00210 | Nuclear receptor subfamily 1 group I member 2 | 2 |
| 37465306 | 10.1021/acsmedchemlett.3c00175 | Metabotropic glutamate receptor 2 | 1 |
| 37465306 | 10.1021/acsmedchemlett.3c00175 | No relevant target | 1 |
| 37583812 | 10.1021/acsmedchemlett.3c00210 | Metabotropic glutamate receptor 2 | 1 |
| 37583812 | 10.1021/acsmedchemlett.3c00210 | No relevant target | 1 |
| 37583812 | 10.1021/acsmedchemlett.3c00210 | ATP-dependent translocase ABCB1 | 1 |
| 37583812 | 10.1021/acsmedchemlett.3c00210 | ADMET | 1 |
| 37583812 | 10.1021/acsmedchemlett.3c00210 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine