Compound Detail
CHEMBL329612
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Basic Information
| ChEMBL ID | CHEMBL329612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTJOICJXQOXICK-UHFFFAOYSA-M |
| Parent Compound | CHEMBL120623 |
| Active Moiety | CHEMBL120623 |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
360.5
MW (Da)
5.40
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.42
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.5
Ki 2 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 8.09 | 8.09 | 8.2 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.5 | 6.12 | 32.0 | 2 |
| Mus musculus CHEMBL375 | IC50 | 6.71 | 6.71 | 197.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 8.2 | nM | 8.09 | Binding affinity at TCP site of NMDA receptor was determined in rat brain homoge... | 7837234 |
| Glutamate NMDA receptor | Ki | = | 8.2 | nM | 8.09 | Affinity against 3[H]TCP binding to N-methyl-D-aspartate glutamate receptor in r... | 7658445 |
| Unchecked | IC50 | = | 32.0 | nM | 7.5 | Inhibitory activity against NMDA open channel block | 7658445 |
| Mus musculus | IC50 | = | 197.0 | nM | 6.71 | Inhibitory concentration against NMDA-induced cell death in cultured mouse corti... | 7837234 |
| Unchecked | IC50 | = | 18100.0 | nM | 4.74 | Inhibitory activity against NMDA closed channel block | 7658445 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658445 | 10.1021/jm00018a018 | Unchecked | 3 |
| 7658445 | 10.1021/jm00018a018 | No relevant target | 2 |
| 7837234 | 10.1021/jm00001a006 | Glutamate NMDA receptor | 1 |
| 7837234 | 10.1021/jm00001a006 | Mus musculus | 1 |
| 7658445 | 10.1021/jm00018a018 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine