Compound Detail
CHEMBL191249
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Basic Information
| ChEMBL ID | CHEMBL191249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPIBJDVGRFDGQS-OXIQGZBJSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
1.51
ALogP
6
HBA
4
HBD
115.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 CHEMBL1918 | Ki | 6.1 | 5.955 | 800.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 5.86 | 5.435 | 1370.0 | 2 |
| Glutamate receptor 2 CHEMBL4016 | Ki | 5.26 | 5.24 | 5510.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 800.0 | nM | 6.1 | Displacement of [3H]ATPA from human Gluk1 receptor | 24140446 |
| Unchecked | Ki | = | 1370.0 | nM | 5.86 | Inhibition of [3H]KA binding to human iontropic glutamate receptors 5 and 6 | 15974569 |
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 1550.0 | nM | 5.81 | Inhibition of [3H]-KA binding to iontropic glutamate receptor 5 | 15974569 |
| Glutamate receptor 2 | Ki | = | 5510.0 | nM | 5.26 | Inhibition of [3H]-AMPA binding to human GluR2 receptors expressed in HEK 293 ce... | 15974569 |
| Glutamate receptor 2 | Ki | = | 6000.0 | nM | 5.22 | Displacement of [3H]AMPA from homomeric recombinant GluA2 receptor (unknown orig... | 24140446 |
| Unchecked | Ki | = | 9860.0 | nM | 5.01 | Inhibition of [3H]KA binding to human iontropic glutamate receptors 5 and KA-2 | 15974569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15974569 | 10.1021/jm0491952 | Unchecked | 3 |
| 15974569 | 10.1021/jm0491952 | Glutamate receptor 2 | 1 |
| 15974569 | 10.1021/jm0491952 | Glutamate receptor ionotropic, kainate 1 | 1 |
| 15974569 | 10.1021/jm0491952 | Glutamate receptor ionotropic, kainate 2 | 1 |
| 24140446 | 10.1016/j.bmcl.2013.09.045 | Rattus norvegicus | 1 |
| 24140446 | 10.1016/j.bmcl.2013.09.045 | Glutamate receptor 2 | 1 |
| 24140446 | 10.1016/j.bmcl.2013.09.045 | Glutamate receptor ionotropic, kainate 1 | 1 |
Data from ChEMBL 36 via Core Engine