Compound Detail
CHEMBL5429000
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Basic Information
| ChEMBL ID | CHEMBL5429000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXCSXQHDLNNHFV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
3.85
ALogP
4
HBA
1
HBD
81.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 CHEMBL5137 | Ki | 9.11 | 9.11 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 2 | Ki | = | 0.78 | nM | 9.11 | Binding affinity to human mGluR2 expressed in cell membrane incubated for 1 hr i... | 37465306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37465306 | 10.1021/acsmedchemlett.3c00175 | ATP-dependent translocase ABCB1 | 2 |
| 37465306 | 10.1021/acsmedchemlett.3c00175 | ADMET | 2 |
| 37465306 | 10.1021/acsmedchemlett.3c00175 | Metabotropic glutamate receptor 2 | 1 |
| 37465306 | 10.1021/acsmedchemlett.3c00175 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine