Compound Detail
CHEMBL298800
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Basic Information
| ChEMBL ID | CHEMBL298800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYWSXMRAQKWRMH-NFNQMPKISA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
201.2
MW (Da)
0.46
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 CHEMBL1918 | Ki | 7.03 | 7.03 | 93.6 | 1 |
| Glutamate receptor 4 CHEMBL3190 | Ki | 4.99 | 4.99 | 10300.0 | 1 |
| Glutamate receptor ionotropic, kainate 3 CHEMBL3684 | Ki | 4.98 | 4.98 | 10500.0 | 1 |
| Glutamate receptor 2 CHEMBL4016 | Ki | 4.35 | 4.35 | 44900.0 | 1 |
| Glutamate receptor ionotropic, kainate 5 CHEMBL2675 | Ki | 4.08 | 4.08 | 82200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 93.6 | nM | 7.03 | Binding affinity of compound was determined against Ionotropic glutamate recepto... | 10969973 |
| Glutamate receptor 4 | Ki | = | 10300.0 | nM | 4.99 | Binding affinity of compound was determined against Ionotropic glutamate recepto... | 10969973 |
| Glutamate receptor ionotropic, kainate 3 | Ki | = | 10500.0 | nM | 4.98 | Binding affinity of compound was determined against Ionotropic glutamate recepto... | 10969973 |
| Glutamate receptor 2 | Ki | = | 44900.0 | nM | 4.35 | Binding affinity of compound was determined against Ionotropic glutamate recepto... | 10969973 |
| Glutamate receptor ionotropic, kainate 5 | Ki | = | 82200.0 | nM | 4.08 | Binding affinity of compound was determined against Glutamate receptor (KA2) usi... | 10969973 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10969973 | 10.1016/s0960-894x(00)00346-2 | Glutamate receptor ionotropic, kainate 1 | 1 |
| 10969973 | 10.1016/s0960-894x(00)00346-2 | Glutamate receptor ionotropic, kainate 2 | 1 |
| 10969973 | 10.1016/s0960-894x(00)00346-2 | Unchecked | 1 |
| 10969973 | 10.1016/s0960-894x(00)00346-2 | Glutamate receptor 1 | 1 |
| 10969973 | 10.1016/s0960-894x(00)00346-2 | Glutamate receptor 2 | 1 |
| 10969973 | 10.1016/s0960-894x(00)00346-2 | Glutamate receptor 4 | 1 |
| 10969973 | 10.1016/s0960-894x(00)00346-2 | Glutamate receptor ionotropic, kainate 5 | 1 |
| 10969973 | 10.1016/s0960-894x(00)00346-2 | Glutamate receptor ionotropic, kainate 3 | 1 |
Data from ChEMBL 36 via Core Engine