Compound Detail
CHEMBL4073431
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Basic Information
| ChEMBL ID | CHEMBL4073431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKDTTWULFNGREK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
260.8
MW (Da)
1.76
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor 2 CHEMBL4016 | EC50 | 4.73 | 4.73 | 18700.0 | 2 |
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | EC50 | 4.09 | 4.09 | 81283.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor 2 | EC50 | = | 18706.82 | nM | 4.73 | Positive allosteric modulation of GluA2 (Q) flop isoform (unknown origin) expres... | 29256599 |
| Glutamate receptor 2 | EC50 | = | 18700.0 | nM | 4.73 | Positive allosteric modulation of GluA2 (Q) flop isoform (unknown origin) expres... | 29256599 |
| Glutamate receptor ionotropic AMPA | EC50 | = | 81283.05 | nM | 4.09 | Positive allosteric modulation at AMPAR in HEK293 cells expressing GluA2Q assess... | 36863228 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36863228 | 10.1016/j.ejmech.2023.115221 | Glutamate receptor ionotropic, AMPA | 3 |
| 29256599 | 10.1021/acs.jmedchem.7b01323 | Glutamate receptor 2 | 2 |
| 36863228 | 10.1016/j.ejmech.2023.115221 | Glutamate receptor ionotropic AMPA | 1 |
| 38101041 | 10.1016/j.ejmech.2023.116036 | Glutamate receptor ionotropic, AMPA | 1 |
Data from ChEMBL 36 via Core Engine