Compound Detail
CHEMBL90705
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Basic Information
| ChEMBL ID | CHEMBL90705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXDCYTGCVDDVAK-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
343.2
MW (Da)
1.61
ALogP
8
HBA
2
HBD
143.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.63
IC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | Ki | 5.63 | 5.63 | 2350.0 | 1 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 5.36 | 5.36 | 4400.0 | 1 |
| Glutamate receptor ionotropic, kainate CHEMBL2094119 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA | Ki | = | 2350.0 | nM | 5.63 | Binding affinity towards ionotropic glutamate receptor (high-affinity) of rat co... | 14695840 |
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 4400.0 | nM | 5.36 | Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 (high affinit... | 14695840 |
| Glutamate receptor ionotropic, kainate | IC50 | = | 43000.0 | nM | 4.37 | Inhibition concentration towards high-affinity ionotropic glutamate receptor kai... | 14695840 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14695840 | 10.1021/jm030906q | Glutamate receptor ionotropic, AMPA | 1 |
| 14695840 | 10.1021/jm030906q | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 14695840 | 10.1021/jm030906q | Glutamate receptor ionotropic, kainate | 1 |
Data from ChEMBL 36 via Core Engine