Compound Detail
CHEMBL213645
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Basic Information
| ChEMBL ID | CHEMBL213645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKCMCIWNASWOOP-QFIPXVFZSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
434.6
MW (Da)
2.61
ALogP
5
HBA
5
HBD
116.5
PSA (Ų)
0.23
QED
0
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.78
IC50 1 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 6.86 | 6.86 | 138.0 | 1 |
| Glutamate receptor 1 CHEMBL2009 | Ki | 6.78 | 6.78 | 168.0 | 1 |
| Glutamate receptor 1 CHEMBL3753 | Ki | 6.78 | 6.78 | 168.0 | 1 |
| Glutamate receptor AMPA 1/2 CHEMBL3883294 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA | IC50 | = | 138.0 | nM | 6.86 | Antagonist activity against rat brain AMPA receptor expressed in Xenopus laevis ... | 16942015 |
| Glutamate receptor 1 | Ki | = | 168.0 | nM | 6.78 | Antagonist activity against rat GluR1 flop expressed in Xenopus laevis oocyte as... | 16942015 |
| Glutamate receptor 1 | Ki | = | 168.0 | nM | 6.78 | Inhibition of recombinant GluA1 receptor flip isoform expressed in Xenopus oocyt... | 20096591 |
| Glutamate receptor AMPA 1/2 | Ki | = | 1600.0 | nM | 5.8 | Inhibition of recombinant GluA1A2 receptor flip isoform expressed in Xenopus ooc... | 20096591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20096591 | 10.1016/j.bmc.2009.12.072 | Glutamate receptor 1 | 2 |
| 20096591 | 10.1016/j.bmc.2009.12.072 | Glutamate receptor AMPA 1/2 | 2 |
| 16942015 | 10.1021/jm060606j | Glutamate receptor 1 | 1 |
| 16942015 | 10.1021/jm060606j | Glutamate receptor ionotropic, AMPA | 1 |
| 20096591 | 10.1016/j.bmc.2009.12.072 | Glutamate receptor 2 | 1 |
| 20096591 | 10.1016/j.bmc.2009.12.072 | Glutamate receptor 3 | 1 |
| 20096591 | 10.1016/j.bmc.2009.12.072 | Glutamate receptor AMPA 2/3 | 1 |
Data from ChEMBL 36 via Core Engine