Compound Detail
CHEMBL52295
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Basic Information
| ChEMBL ID | CHEMBL52295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKTPEUFZYFCNLY-LMXCLXGDSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
187.2
MW (Da)
0.21
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.22
EC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 CHEMBL1918 | Ki | 7.22 | 7.22 | 60.5 | 1 |
| Glutamate receptor ionotropic, kainate 1 CHEMBL1918 | EC50 | 4.85 | 4.85 | 14200.0 | 1 |
| Glutamate receptor ionotropic, kainate 2 CHEMBL3683 | Ki | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 60.5 | nM | 7.22 | Binding affinity of compound was determined against Ionotropic glutamate recepto... | 10969973 |
| Glutamate receptor ionotropic, kainate 1 | EC50 | = | 14200.0 | nM | 4.85 | Compound was tested for agonistic activity at Glutamate receptor 5 using HEK293 ... | 10969973 |
| Glutamate receptor ionotropic, kainate 2 | Ki | = | 18000.0 | nM | 4.75 | Binding affinity of compound was determined against Ionotropic glutamate recepto... | 10969973 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10969973 | 10.1016/s0960-894x(00)00346-2 | Glutamate receptor ionotropic, kainate 1 | 5 |
| 10969973 | 10.1016/s0960-894x(00)00346-2 | Glutamate receptor ionotropic, kainate 2 | 3 |
| 10969973 | 10.1016/s0960-894x(00)00346-2 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine