Compound Detail
CHEMBL338753
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Basic Information
| ChEMBL ID | CHEMBL338753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNYJXORXZWTJDA-YRNVUSSQSA-N |
1
Targets
3
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
434.3
MW (Da)
4.24
ALogP
4
HBA
4
HBD
107.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 8.79 | 8.2033 | 1.6 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 11500.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3440.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 19800.0 | ng.hr.mL-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 1.622 | nM | 8.79 | In vitro ability to inhibit the binding of [3H]glycine to glycine binding site o... | 14552796 |
| Glutamate NMDA receptor | Ki | = | 3.02 | nM | 8.52 | In vitro ability to inhibit the binding of [3H]glycine to glycine binding site o... | 14552796 |
| Glutamate NMDA receptor | Ki | = | 50.12 | nM | 7.3 | In vitro ability to inhibit the binding of [3H]glycine to glycine binding site o... | 14552796 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14552796 | 10.1016/j.bmcl.2003.06.001 | Rattus norvegicus | 23 |
| 14552796 | 10.1016/j.bmcl.2003.06.001 | Glutamate NMDA receptor | 3 |
| 14552796 | 10.1016/j.bmcl.2003.06.001 | Mus musculus | 3 |
Data from ChEMBL 36 via Core Engine