Compound Detail
CHEMBL554613
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Basic Information
| ChEMBL ID | CHEMBL554613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYPLMSRWTLFHJC-JEDNCBNOSA-N |
| Parent Compound | CHEMBL1195455 |
| Active Moiety | CHEMBL1195455 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.1
MW (Da)
1.37
ALogP
6
HBA
4
HBD
115.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 2200.0 | nM | 5.66 | In vitro inhibition of binding of [3H]MDL-105519 towards glycine binding site of... | 10021939 |
| Glutamate receptor ionotropic, AMPA | IC50 | = | 4300.0 | nM | 5.37 | In vitro inhibition of binding of [3H]AMPA towards AMPA receptor in rat | 10021939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10021939 | 10.1016/s0960-894x(98)00720-3 | Glutamate receptor ionotropic, AMPA | 1 |
| 10021939 | 10.1016/s0960-894x(98)00720-3 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine