Compound Detail
CHEMBL446256
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Basic Information
| ChEMBL ID | CHEMBL446256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYMLROZAJAINNE-QWRGUYRKSA-N |
3
Targets
16
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
0.71
ALogP
4
HBA
3
HBD
109.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 4.93
Ki 8 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Excitatory amino acid transporter 3 CHEMBL2721 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.93 | 4.925 | 11749.0 | 2 |
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 4.59 | 4.585 | 25704.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Excitatory amino acid transporter 3 | Ki | = | 1000.0 | nM | 6.0 | Inhibition of [3H]D-Asp uptake at human EAAT3 in HEK293 cells | 18578477 |
| Unchecked | IC50 | = | 11748.98 | nM | 4.93 | Displacement of [3H]KA from KA receptor in rat synaptosomes | 18578478 |
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Displacement of [3H]KA from KA receptor in rat synaptosomes | 18578478 |
| Glutamate NMDA receptor | Ki | = | 25703.96 | nM | 4.59 | Displacement of [3H]CGP 39653 from NMDA receptor in rat synaptosomes | 18578478 |
| Glutamate NMDA receptor | Ki | = | 26000.0 | nM | 4.58 | Displacement of [3H]CGP 39653 from NMDA receptor in rat synaptosomes | 18578478 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18578477 | 10.1021/jm800091e | Excitatory amino acid transporter 1 | 4 |
| 18578477 | 10.1021/jm800091e | Excitatory amino acid transporter 2 | 4 |
| 18578477 | 10.1021/jm800091e | Excitatory amino acid transporter 3 | 4 |
| 18578478 | 10.1021/jm800092x | Unchecked | 3 |
| 18578478 | 10.1021/jm800092x | Glutamate NMDA receptor | 2 |
Data from ChEMBL 36 via Core Engine