Compound Detail
CHEMBL79312
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL79312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSJIEMUHDJTZSH-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
264.6
MW (Da)
1.33
ALogP
6
HBA
2
HBD
100.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.46
EC50 1 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 5.46 | 5.46 | 3500.0 | 2 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | Ki | 4.74 | 4.74 | 18400.0 | 2 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | EC50 | 4.49 | 4.49 | 32500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 3500.0 | nM | 5.46 | Binding selectivity towards N-methyl-D-aspartate glutamate receptor 1 was determ... | 12954059 |
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 3500.0 | nM | 5.46 | Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 in rat cortic... | 10395489 |
| Glutamate receptor ionotropic, AMPA | Ki | = | 18400.0 | nM | 4.74 | Binding selectivity towards Ionotropic glutamate receptor AMPA was determined by... | 12954059 |
| Glutamate receptor ionotropic, AMPA | Ki | = | 18400.0 | nM | 4.74 | Binding affinity towards ionotropic glutamate receptor AMPA in rat cortical memb... | 10395489 |
| Glutamate receptor ionotropic, NMDA 1 | EC50 | = | 32500.0 | nM | 4.49 | Functional antagonism at the N-methyl-D-aspartate glutamate receptor 1 was demon... | 10395489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10395489 | 10.1021/jm981102r | Glutamate receptor ionotropic, NMDA 1 | 2 |
| 12954059 | 10.1021/jm030833a | Glutamate receptor ionotropic, AMPA | 1 |
| 12954059 | 10.1021/jm030833a | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 10395489 | 10.1021/jm981102r | Glutamate receptor ionotropic, AMPA | 1 |
Data from ChEMBL 36 via Core Engine