Compound Detail
CHEMBL83919
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Basic Information
| ChEMBL ID | CHEMBL83919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXAANXIRAMZBPL-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
292.7
MW (Da)
1.81
ALogP
7
HBA
1
HBD
89.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.47
EC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 6.47 | 6.47 | 340.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | Ki | 5.58 | 5.58 | 2600.0 | 2 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 5.52 | 5.52 | 3000.0 | 2 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | EC50 | 4.66 | 4.66 | 22100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 340.0 | nM | 6.47 | Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO ... | 16335918 |
| Glutamate receptor ionotropic, AMPA | Ki | = | 2600.0 | nM | 5.58 | Binding selectivity towards Ionotropic glutamate receptor AMPA was determined by... | 12954059 |
| Glutamate receptor ionotropic, AMPA | Ki | = | 2600.0 | nM | 5.58 | Binding affinity towards ionotropic glutamate receptor AMPA in rat cortical memb... | 10395489 |
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 3000.0 | nM | 5.52 | Binding selectivity towards N-methyl-D-aspartate glutamate receptor 1 was determ... | 12954059 |
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 3000.0 | nM | 5.52 | Binding affinity towards N-methyl-D-aspartate glutamate receptor 1 in rat cortic... | 10395489 |
| Glutamate receptor ionotropic, NMDA 1 | EC50 | = | 22100.0 | nM | 4.66 | 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 |
| 16335918 | 10.1021/jm0504149 | Adenosine receptor A1 | 1 |
| 16335918 | 10.1021/jm0504149 | Adenosine receptor A2a | 1 |
| 16335918 | 10.1021/jm0504149 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine