Compound Detail
CHEMBL5172225
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Basic Information
| ChEMBL ID | CHEMBL5172225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORGOUAJJIQIPDQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
313.1
MW (Da)
4.12
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type II subunit alpha CHEMBL2359 | Ki | 7.2 | 7.18 | 63.1 | 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 | = | 63.1 | nM | 7.2 | Displacement of [3H]NCS-382 from CaMK2alpha in rat brain cerebral cortex membran... | 35500061 |
| Calcium/calmodulin-dependent protein kinase type II subunit alpha | Ki | = | 70.0 | nM | 7.16 | Displacement of [3H]NCS-382 from CaMK2alpha in rat brain cerebral cortex membran... | 35500061 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35500061 | 10.1021/acs.jmedchem.1c02177 | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 2 |
Data from ChEMBL 36 via Core Engine