Compound Detail
CHEMBL449296
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 | CHEMBL449296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEKIJKSVXKWGRJ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
278.1
MW (Da)
-1.29
ALogP
5
HBA
3
HBD
118.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 CHEMBL2919 | Ki | 7.83 | 7.83 | 14.8 | 1 |
| Glutamate receptor 1 CHEMBL3753 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| Glutamate receptor 2 CHEMBL3503 | Ki | 7.21 | 7.21 | 61.0 | 1 |
| Glutamate receptor 3 CHEMBL3504 | Ki | 6.36 | 6.36 | 434.0 | 1 |
| Glutamate receptor 4 CHEMBL3505 | Ki | 6.18 | 6.18 | 656.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 14.8 | nM | 7.83 | Displacement of [3H]SYM2081 from rat recombinant iGluR5(Q)1b expressed in Sf9 ce... | 18811139 |
| Glutamate receptor 1 | Ki | = | 35.0 | nM | 7.46 | Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR1 express... | 18811139 |
| Glutamate receptor 2 | Ki | = | 61.0 | nM | 7.21 | Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR2(R) expr... | 18811139 |
| Glutamate receptor 3 | Ki | = | 434.0 | nM | 6.36 | Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR3 express... | 18811139 |
| Glutamate receptor 4 | Ki | = | 656.0 | nM | 6.18 | Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR4 express... | 18811139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18811139 | 10.1021/jm800865a | Glutamate receptor 1 | 1 |
| 18811139 | 10.1021/jm800865a | Glutamate receptor 2 | 1 |
| 18811139 | 10.1021/jm800865a | Glutamate receptor 3 | 1 |
| 18811139 | 10.1021/jm800865a | Glutamate receptor 4 | 1 |
| 18811139 | 10.1021/jm800865a | Glutamate receptor ionotropic, kainate 1 | 1 |
| 18811139 | 10.1021/jm800865a | Glutamate receptor ionotropic, kainate 2 | 1 |
Data from ChEMBL 36 via Core Engine