Compound Detail
CHEMBL373428
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 | CHEMBL373428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTAZUCRXCRXNSU-VIFPVBQESA-N |
3
Targets
4
Activities
3
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
-0.46
ALogP
8
HBA
3
HBD
144.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.75
IC50 1 meas. best 4.79
Ki 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 CHEMBL2919 | Kd | 7.75 | 7.75 | 18.0 | 1 |
| Glutamate receptor ionotropic, kainate 3 CHEMBL3744 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.79 | 4.79 | 16200.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 4.08 | 4.08 | 83400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 | Kd | = | 18.0 | nM | 7.75 | Activity at native GLUK5 kainate receptor assessed as antagonism of kainite-indu... | 17348638 |
| Glutamate receptor ionotropic, kainate 3 | Ki | = | 23.0 | nM | 7.64 | Displacement of [3H]SYM2081 from rat GluK3 expressed in Sf9 cells | 21619066 |
| Unchecked | IC50 | = | 16200.0 | nM | 4.79 | Antagonist activity at native AMPA receptor assessed as fDR-VRP reduction of neo... | 17348638 |
| Unchecked | Kd | = | 83400.0 | nM | 4.08 | Activity at native AMPA receptor assessed as antagonism of (S)-5-fluoriwillardii... | 17348638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21619066 | 10.1021/jm2004078 | Unchecked | 8 |
| 17348638 | 10.1021/jm061041u | Unchecked | 4 |
| 17348638 | 10.1021/jm061041u | Glutamate receptor ionotropic, kainate 1 | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 17348638 | 10.1021/jm061041u | Glutamate receptor ionotropic, kainate 2 | 1 |
| 17348638 | 10.1021/jm061041u | Glutamate receptor 2 | 1 |
| 17348638 | 10.1021/jm061041u | Glutamate NMDA receptor | 1 |
| 17348638 | 10.1021/jm061041u | Metabotropic glutamate receptor 1 | 1 |
| 17348638 | 10.1021/jm061041u | Metabotropic glutamate receptor 5 | 1 |
| 21619066 | 10.1021/jm2004078 | Glutamate receptor ionotropic, kainate 3 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine