Compound Detail
CHEMBL91445
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Basic Information
| ChEMBL ID | CHEMBL91445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILFCWZMYUUQOPG-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1179644 |
| Active Moiety | CHEMBL1179644 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
4.58
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.44
Ki 1 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| Mus musculus CHEMBL375 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 1.9 | nM | 8.72 | Binding affinity at TCP site of NMDA receptor was determined in rat brain homoge... | 7837234 |
| Mus musculus | IC50 | = | 36.0 | nM | 7.44 | Inhibitory concentration against NMDA-induced cell death in cultured mouse corti... | 7837234 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7837234 | 10.1021/jm00001a006 | Glutamate NMDA receptor | 1 |
| 7837234 | 10.1021/jm00001a006 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine