Compound Detail
CHEMBL432781
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Basic Information
| ChEMBL ID | CHEMBL432781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEMBRSBGMJUWLY-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
279.6
MW (Da)
0.92
ALogP
7
HBA
3
HBD
126.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.44
IC50 2 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 5.44 | 5.44 | 3600.0 | 1 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 5.44 | 5.44 | 3600.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | Ki | 5.31 | 5.31 | 4900.0 | 2 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| Glutamate receptor ionotropic, kainate CHEMBL2094119 | IC50 | 4.65 | 4.65 | 22400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 3600.0 | nM | 5.44 | Binding selectivity towards N-methyl-D-aspartate glutamate receptor 1 was determ... | 12954059 |
| Glutamate NMDA receptor | Ki | = | 3600.0 | nM | 5.44 | Ability to displace [3H]glycine from NMDA receptor in rat corticaln membranes | 11543685 |
| Glutamate receptor ionotropic, AMPA | Ki | = | 4900.0 | nM | 5.31 | Binding selectivity towards Ionotropic glutamate receptor AMPA was determined by... | 12954059 |
| Glutamate receptor ionotropic, AMPA | Ki | = | 4900.0 | nM | 5.31 | Binding affinity at ionotropic glutamate receptor AMPA in rat cortical membranes... | 11543685 |
| Glutamate NMDA receptor | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of [3H]-(+)-MK-801 binding to NMDA receptor ion-channel complex of ra... | 11543685 |
| Glutamate receptor ionotropic, kainate | IC50 | = | 22400.0 | nM | 4.65 | Inhibition of [3H]KA binding to kainate receptor of rat brain membranes | 11543685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11543685 | 10.1021/jm010862q | Glutamate NMDA receptor | 2 |
| 12954059 | 10.1021/jm030833a | Glutamate receptor ionotropic, AMPA | 1 |
| 12954059 | 10.1021/jm030833a | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 11543685 | 10.1021/jm010862q | Glutamate receptor ionotropic, AMPA | 1 |
| 11543685 | 10.1021/jm010862q | Glutamate receptor ionotropic, kainate | 1 |
Data from ChEMBL 36 via Core Engine