Compound Detail
CHEMBL366489
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Basic Information
| ChEMBL ID | CHEMBL366489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FACUYWPMDKTVFU-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
199.2
MW (Da)
-2.05
ALogP
5
HBA
3
HBD
118.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.39
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor 1 CHEMBL3753 | Ki | 6.39 | 6.39 | 410.0 | 1 |
| Glutamate receptor 2 CHEMBL3503 | Ki | 5.91 | 5.91 | 1220.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Glutamate receptor 4 CHEMBL3505 | Ki | 4.85 | 4.85 | 14200.0 | 1 |
| Glutamate receptor 3 CHEMBL3504 | Ki | 4.72 | 4.72 | 19000.0 | 1 |
| Glutamate receptor ionotropic, kainate CHEMBL2094119 | IC50 | 4.01 | 4.01 | 97000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor 1 | Ki | = | 410.0 | nM | 6.39 | Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR1 express... | 18811139 |
| Glutamate receptor 2 | Ki | = | 1220.0 | nM | 5.91 | Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR2(R) expr... | 18811139 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of specific binding of [3H]AMPA to Ionotropic glutamate receptor AMPA... | 9379437 |
| Glutamate receptor 4 | Ki | = | 14200.0 | nM | 4.85 | Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR4 express... | 18811139 |
| Glutamate receptor 3 | Ki | = | 19000.0 | nM | 4.72 | Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR3 express... | 18811139 |
| Glutamate receptor ionotropic, kainate | IC50 | = | 97000.0 | nM | 4.01 | Inhibition of specific binding of [3H]kainate to Ionotropic glutamate receptor k... | 9379437 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9379437 | 10.1021/jm950028z | Glutamate receptor ionotropic, AMPA | 2 |
| 9379437 | 10.1021/jm950028z | ADMET | 1 |
| 9379437 | 10.1021/jm950028z | Glutamate receptor ionotropic, kainate | 1 |
| 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