Compound Detail
CHEMBL90722
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Basic Information
| ChEMBL ID | CHEMBL90722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSDKDROMWWCUID-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
368.3
MW (Da)
1.19
ALogP
10
HBA
2
HBD
165.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.92
Ki 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| Glutamate receptor ionotropic, kainate CHEMBL2094119 | IC50 | 5.92 | 5.505 | 1200.0 | 2 |
| Mus musculus CHEMBL375 | IC50 | 5.51 | 4.895 | 3100.0 | 2 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA | Ki | = | 180.0 | nM | 6.75 | Binding affinity towards ionotropic glutamate receptor (high-affinity) of rat co... | 14695840 |
| Glutamate receptor ionotropic, kainate | IC50 | = | 1200.0 | nM | 5.92 | Inhibition concentration towards low-affinity Ionotropic glutamate receptor kain... | 14695840 |
| Mus musculus | IC50 | = | 3100.0 | nM | 5.51 | Concentration necessary for 50% inhibition of depolarization induced by 5 uM S-A... | 14695840 |
| Glutamate receptor ionotropic, kainate | IC50 | = | 8200.0 | nM | 5.09 | Inhibition concentration towards high-affinity ionotropic glutamate receptor kai... | 14695840 |
| Rattus norvegicus | IC50 | = | 12000.0 | nM | 4.92 | Concentration that inhibits 50% S-AMPA stimulated (50 uM) [3H]norepinephrine rel... | 14695840 |
| Mus musculus | IC50 | = | 52000.0 | nM | 4.28 | Concentration necessary for 50% inhibition of depolarization induced by 5 uM NMD... | 14695840 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14695840 | 10.1021/jm030906q | Glutamate receptor ionotropic, kainate | 2 |
| 14695840 | 10.1021/jm030906q | Mus musculus | 2 |
| 14695840 | 10.1021/jm030906q | Rattus norvegicus | 2 |
| 14695840 | 10.1021/jm030906q | Glutamate receptor ionotropic, AMPA | 1 |
| 14695840 | 10.1021/jm030906q | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 14695840 | 10.1021/jm030906q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine