Compound Detail
CHEMBL367027
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Basic Information
| ChEMBL ID | CHEMBL367027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWHJMTINWUANCP-QMMMGPOBSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
264.2
MW (Da)
0.71
ALogP
6
HBA
4
HBD
129.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.19
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Metabotropic glutamate receptor 5 CHEMBL2564 | Ki | 4.19 | 4.19 | 65000.0 | 1 |
| Metabotropic glutamate receptor 1 CHEMBL4477 | Ki | 4.15 | 4.15 | 71000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 20000.0 | nM | 4.7 | Concentration which causes 50% reduction in receptor binding affinity against N-... | 11831912 |
| Metabotropic glutamate receptor 5 | Ki | = | 65000.0 | nM | 4.19 | The compound was tested for the receptor binding affinity at Metabotropic glutam... | 11831912 |
| Metabotropic glutamate receptor 1 | Ki | = | 71000.0 | nM | 4.15 | The compound was tested for the receptor binding affinity at Metabotropic glutam... | 11831912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11831912 | 10.1021/jm010443t | Rattus norvegicus | 2 |
| 11831912 | 10.1021/jm010443t | Glutamate NMDA receptor | 1 |
| 11831912 | 10.1021/jm010443t | Glutamate receptor ionotropic, AMPA | 1 |
| 11831912 | 10.1021/jm010443t | Glutamate receptor ionotropic, kainate 1 | 1 |
| 11831912 | 10.1021/jm010443t | Metabotropic glutamate receptor 1 | 1 |
| 11831912 | 10.1021/jm010443t | Metabotropic glutamate receptor 5 | 1 |
| 11831912 | 10.1021/jm010443t | Metabotropic glutamate receptor 4 | 1 |
| 11831912 | 10.1021/jm010443t | Metabotropic glutamate receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine