Compound Detail
CHEMBL431382
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Basic Information
| ChEMBL ID | CHEMBL431382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JASCMFDYTJFEAR-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
336.3
MW (Da)
1.03
ALogP
8
HBA
3
HBD
149.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Glutamate receptor ionotropic AMPA CHEMBL2096670 | IC50 | 6.85 | 6.59 | 140.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA | IC50 | = | 140.0 | nM | 6.85 | In vitro binding affinity against Ionotropic glutamate receptor AMPA binding sit... | 10377233 |
| Glutamate receptor ionotropic AMPA | IC50 | = | 140.0 | nM | 6.85 | Displacement of [3H]AMPA from AMPA receptor (unknown origin) | 34998058 |
| Unchecked | IC50 | = | 470.0 | nM | 6.33 | In vitro binding affinity against glycine receptor binding site using [3H]- Glyc... | 10377233 |
| Glutamate receptor ionotropic AMPA | IC50 | = | 470.0 | nM | 6.33 | Displacement of [3H]glycine from AMPA receptor (unknown origin) | 34998058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34998058 | 10.1016/j.ejmech.2021.114085 | Glutamate receptor ionotropic AMPA | 2 |
| 10377233 | 10.1021/jm980455n | Glutamate receptor ionotropic, AMPA | 1 |
| 10377233 | 10.1021/jm980455n | Unchecked | 1 |
| 10377233 | 10.1021/jm980455n | No relevant target | 1 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine