Compound Detail
CHEMBL321164
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Basic Information
| ChEMBL ID | CHEMBL321164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMIPYZRGHRHYAI-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
172.1
MW (Da)
-1.53
ALogP
6
HBA
3
HBD
114.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Glutamate receptor ionotropic, kainate CHEMBL2094119 | IC50 | 4.33 | 4.33 | 47000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.03 | 4.03 | 93000.0 | 1 |
| Excitatory amino acid transporter 1 CHEMBL3085 | IC50 | 4.0 | 4.0 | 100000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA | IC50 | = | 150.0 | nM | 6.82 | Binding affinity for Ionotropic glutamate receptor AMPA using [3H]- AMPA | 11754576 |
| Glutamate receptor ionotropic, kainate | IC50 | = | 47000.0 | nM | 4.33 | Binding affinity for Ionotropic glutamate receptor using [3H]- kainic acid | 11754576 |
| Unchecked | IC50 | = | 93000.0 | nM | 4.03 | Measure of synaptosomal Glu uptake system using [3H]- -D-aspartic acid as radiol... | 11754576 |
| Excitatory amino acid transporter 1 | IC50 | = | 100000.0 | nM | 4.0 | Binding affinity for Excitatory amino acid transporter 1 (EAAT-1) in Glu uptake ... | 11754576 |
| Excitatory amino acid transporter 1 | IC50 | = | 100000.0 | nM | 4.0 | Displacement of [3H]D-Asp from human EAAT1 receptor expressed in HEK293 cells | 19161278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11754576 | 10.1021/jm010303j | Glutamate receptor ionotropic, AMPA | 1 |
| 11754576 | 10.1021/jm010303j | Glutamate receptor ionotropic, kainate | 1 |
| 11754576 | 10.1021/jm010303j | Glutamate NMDA receptor | 1 |
| 11754576 | 10.1021/jm010303j | Rattus norvegicus | 1 |
| 11754576 | 10.1021/jm010303j | Unchecked | 1 |
| 11754576 | 10.1021/jm010303j | Excitatory amino acid transporter 1 | 1 |
| 11754576 | 10.1021/jm010303j | Excitatory amino acid transporter 2 | 1 |
| 11754576 | 10.1021/jm010303j | Excitatory amino acid transporter 3 | 1 |
| 19161278 | 10.1021/jm8013458 | Excitatory amino acid transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine