Compound Detail
CHEMBL294139
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Basic Information
| ChEMBL ID | CHEMBL294139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEHOBMVXPBLACF-DIZYNNQWSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
201.2
MW (Da)
0.46
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.35
Ki 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 CHEMBL1918 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Glutamate receptor ionotropic, kainate 2 CHEMBL3683 | Ki | 5.49 | 5.49 | 3258.0 | 1 |
| Glutamate receptor ionotropic, kainate 1 CHEMBL1918 | EC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Glutamate receptor ionotropic, kainate 2 CHEMBL3683 | EC50 | 4.23 | 4.23 | 58300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 21.0 | nM | 7.68 | Binding affinity against human ionotropic glutamate receptor kainate 1 in HK293 ... | 10821708 |
| Glutamate receptor ionotropic, kainate 2 | Ki | = | 3258.0 | nM | 5.49 | Binding affinity against human ionotropic glutamate receptor ionotropic kainate ... | 10821708 |
| Glutamate receptor ionotropic, kainate 1 | EC50 | = | 4500.0 | nM | 5.35 | Effective concentration required for evoking response in HEK293 cell | 10821708 |
| Glutamate receptor ionotropic, kainate 2 | EC50 | = | 58300.0 | nM | 4.23 | Effective concentration against human GluR6 expressed in HEK293 cells | 10821708 |
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 | Molecular identity unknown | 1 |
| 10821708 | 10.1021/jm9911682 | NON-PROTEIN TARGET | 1 |
| 10821708 | 10.1021/jm9911682 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine