Compound Detail
CHEMBL93902
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Basic Information
| ChEMBL ID | CHEMBL93902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOTNJKYTIMYDNV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
267.2
MW (Da)
1.70
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 6.21 | 5.955 | 620.0 | 2 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA | IC50 | = | 620.0 | nM | 6.21 | Binding affinity for Ionotropic glutamate receptor AMPA | 11133083 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 2008.0 | nM | 5.7 | Antagonistic activity against Ionotropic glutamate receptor AMPA using kainate-e... | 11133083 |
| Glutamate NMDA receptor | IC50 | = | 10000.0 | nM | 5.0 | Binding affinity for N-methyl-D-aspartate glutamate receptor | 11133083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11133083 | 10.1016/s0960-894x(00)00561-8 | Glutamate receptor ionotropic, AMPA | 2 |
| 11133083 | 10.1016/s0960-894x(00)00561-8 | Glutamate NMDA receptor | 1 |
| 11133083 | 10.1016/s0960-894x(00)00561-8 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine