Compound Detail
CHEMBL381340
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Basic Information
| ChEMBL ID | CHEMBL381340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PONXTPCRRASWKW-ZIAGYGMSSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
212.3
MW (Da)
2.39
ALogP
2
HBA
2
HBD
52.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.35
Ki 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 5.38 | 5.38 | 4120.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 4120.0 | nM | 5.38 | Displacement of [3H]MK801 from NMDA receptor in rat brain neuronal membrane | 19345586 |
| Dipeptidyl peptidase 4 | IC50 | = | 45000.0 | nM | 4.35 | Inhibition of DPP4 | 16321524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16321524 | 10.1016/j.bmcl.2005.11.038 | Dipeptidyl peptidase 4 | 2 |
| 19345586 | 10.1016/j.bmc.2009.03.025 | Glutamate NMDA receptor | 2 |
Data from ChEMBL 36 via Core Engine