Compound Detail
CHEMBL450008
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Basic Information
| ChEMBL ID | CHEMBL450008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPDBDXKMDHIBJN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.7
MW (Da)
1.82
ALogP
7
HBA
3
HBD
147.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | Ki | 6.13 | 6.13 | 740.0 | 1 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA | Ki | = | 740.0 | nM | 6.13 | Binding selectivity towards Ionotropic glutamate receptor AMPA was determined by... | 12954059 |
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 1100.0 | nM | 5.96 | Binding selectivity towards N-methyl-D-aspartate glutamate receptor 1 was determ... | 12954059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12954059 | 10.1021/jm030833a | Glutamate receptor ionotropic, AMPA | 1 |
| 12954059 | 10.1021/jm030833a | Glutamate receptor ionotropic, NMDA 1 | 1 |
Data from ChEMBL 36 via Core Engine