Compound Detail
CHEMBL5175633
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Basic Information
| ChEMBL ID | CHEMBL5175633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMHGSIGUNOSQTJ-VQHVLOKHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
236.2
MW (Da)
2.21
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type II subunit alpha CHEMBL2359 | Ki | 7.0 | 6.98 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type II subunit alpha | Ki | = | 100.0 | nM | 7.0 | Displacement of [3H]NCS-382 from CaMK2alpha in rat brain cortical membrane homog... | 36346645 |
| Calcium/calmodulin-dependent protein kinase type II subunit alpha | Ki | = | 110.0 | nM | 6.96 | Displacement of [3H]NCS-382 from CaMK2alpha in rat brain cortical membrane homog... | 36346645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36346645 | 10.1021/acs.jmedchem.2c00805 | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 2 |
Data from ChEMBL 36 via Core Engine