Compound Detail
CHEMBL372124
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Basic Information
| ChEMBL ID | CHEMBL372124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPMICTZIAZZHCD-UHNVWZDZSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
175.2
MW (Da)
-0.10
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Excitatory amino acid transporter 2 CHEMBL4973 | Ki | 4.97 | 4.91 | 10715.2 | 2 |
| Excitatory amino acid transporter 1 CHEMBL3085 | Ki | 4.64 | 4.64 | 22908.7 | 2 |
| Excitatory amino acid transporter 3 CHEMBL2721 | Ki | 4.43 | 4.425 | 37153.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Excitatory amino acid transporter 2 | Ki | = | 10715.19 | nM | 4.97 | Binding affinity to human EAAT2 expressed in HEK293 cells in FMP (FLPR) assay | 16335922 |
| Excitatory amino acid transporter 2 | Ki | = | 14000.0 | nM | 4.85 | Binding affinity to human EAAT2 expressed in HEK293 cells in FMP (FLPR) assay | 16335922 |
| Excitatory amino acid transporter 1 | Ki | = | 23000.0 | nM | 4.64 | Binding affinity to human EAAT1 expressed in HEK293 cells in FMP (FLPR) assay | 16335922 |
| Excitatory amino acid transporter 1 | Ki | = | 22908.68 | nM | 4.64 | Binding affinity to human EAAT1 expressed in HEK293 cells in FMP (FLPR) assay | 16335922 |
| Excitatory amino acid transporter 3 | Ki | = | 37153.52 | nM | 4.43 | Binding affinity to human EAAT3 expressed in HEK293 cells in FMP (FLPR) assay | 16335922 |
| Excitatory amino acid transporter 3 | Ki | = | 38000.0 | nM | 4.42 | Binding affinity to human EAAT3 expressed in HEK293 cells in FMP (FLPR) assay | 16335922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16335922 | 10.1021/jm050597z | Excitatory amino acid transporter 2 | 2 |
| 16335922 | 10.1021/jm050597z | Excitatory amino acid transporter 3 | 2 |
| 16335922 | 10.1021/jm050597z | Excitatory amino acid transporter 1 | 2 |
| 26814576 | 10.1021/acs.jmedchem.5b01333 | Metabotropic glutamate receptor 4 | 1 |
| 26814576 | 10.1021/acs.jmedchem.5b01333 | Metabotropic glutamate receptor 1 | 1 |
| 26814576 | 10.1021/acs.jmedchem.5b01333 | Metabotropic glutamate receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine