Compound Detail
CHEMBL62057
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Basic Information
| ChEMBL ID | CHEMBL62057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APFSBOCBNKHACW-RITPCOANSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
187.2
MW (Da)
0.07
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.36
Ki 2 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 CHEMBL1918 | Ki | 7.25 | 7.25 | 56.0 | 1 |
| Glutamate receptor ionotropic, kainate 2 CHEMBL3683 | Ki | 5.74 | 5.74 | 1840.0 | 1 |
| Glutamate receptor ionotropic, kainate 1 CHEMBL1918 | EC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Glutamate receptor ionotropic, kainate 2 CHEMBL3683 | EC50 | 5.08 | 4.915 | 8300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 56.0 | nM | 7.25 | Binding affinity against human ionotropic glutamate receptor kainate 1 in HK293 ... | 10821708 |
| Glutamate receptor ionotropic, kainate 2 | Ki | = | 1840.0 | nM | 5.74 | compound was tested for binding affinity against human Ionotropic glutamate rece... | 10821708 |
| Glutamate receptor ionotropic, kainate 1 | EC50 | = | 4400.0 | nM | 5.36 | Effective concentration required for evoking response in HEK293 cell | 10821708 |
| Glutamate receptor ionotropic, kainate 2 | EC50 | = | 8300.0 | nM | 5.08 | Effective concentration against human GluR6 expressed in HEK293 cells | 10821708 |
| Glutamate receptor ionotropic, kainate 2 | EC50 | = | 18000.0 | nM | 4.75 | Agonist activity at iGluR6 L439C mutant expressed in human HEK293 cells assessed... | 16408092 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10821708 | 10.1021/jm9911682 | Glutamate receptor ionotropic, kainate 1 | 3 |
| 10821708 | 10.1021/jm9911682 | Glutamate receptor ionotropic, kainate 2 | 3 |
| 10821708 | 10.1021/jm9911682 | Unchecked | 1 |
| 16408092 | 10.1038/nchembio756 | Glutamate receptor ionotropic, kainate 2 | 1 |
Data from ChEMBL 36 via Core Engine