Compound Detail
CHEMBL189985
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Basic Information
| ChEMBL ID | CHEMBL189985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBVYDDACFKHYKD-OPDFLTKYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
1.48
ALogP
6
HBA
3
HBD
113.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.0 | 5.55 | 1000.0 | 2 |
| Glutamate receptor ionotropic, kainate 1 CHEMBL1918 | Ki | 5.92 | 5.845 | 1200.0 | 2 |
| Glutamate receptor 2 CHEMBL4016 | Ki | 5.08 | 4.94 | 8260.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1000.0 | nM | 6.0 | Inhibition of [3H]KA binding to human iontropic glutamate receptors 5 and 6 | 15974569 |
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 1200.0 | nM | 5.92 | Displacement of [3H]ATPA from human Gluk1 receptor | 24140446 |
| Glutamate receptor ionotropic, kainate 1 | Ki | = | 1690.0 | nM | 5.77 | Inhibition of [3H]-KA binding to iontropic glutamate receptor 5 | 15974569 |
| Unchecked | Ki | = | 7890.0 | nM | 5.1 | Inhibition of [3H]KA binding to human iontropic glutamate receptors 5 and KA-2 | 15974569 |
| Glutamate receptor 2 | Ki | = | 8260.0 | nM | 5.08 | Inhibition of [3H]-AMPA binding to human GluR2 receptors expressed in HEK 293 ce... | 15974569 |
| Glutamate receptor 2 | Ki | = | 16000.0 | nM | 4.8 | Displacement of [3H]AMPA from homomeric recombinant GluA2 receptor (unknown orig... | 24140446 |
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