Compound Detail
CHEMBL5191835
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Basic Information
| ChEMBL ID | CHEMBL5191835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMHXRNDEHCSZKC-UHFFFAOYSA-N |
2
Targets
12
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
278.7
MW (Da)
3.47
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 6 meas. best 6.66
Ki 6 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type II subunit alpha CHEMBL2359 | Ki | 7.6 | 7.4375 | 25.1 | 4 |
| Calcium/calmodulin-dependent protein kinase type II subunit alpha CHEMBL4147 | Kd | 6.66 | 6.66 | 219.0 | 6 |
| Calcium/calmodulin-dependent protein kinase type II subunit alpha CHEMBL4147 | Ki | 6.3 | 6.3 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35500061 | 10.1021/acs.jmedchem.1c02177 | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 13 |
| 35500061 | 10.1021/acs.jmedchem.1c02177 | ADMET | 4 |
| 35500061 | 10.1021/acs.jmedchem.1c02177 | No relevant target | 3 |
Data from ChEMBL 36 via Core Engine