Compound Detail
CHEMBL4572769
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Basic Information
| ChEMBL ID | CHEMBL4572769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YENJHPHZTUCDLE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
511.7
MW (Da)
7.26
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.32
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type II subunit alpha CHEMBL4147 | IC50 | 6.09 | 6.09 | 810.0 | 1 |
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 | IC50 | = | 810.0 | nM | 6.09 | Inhibition of human CaMKIIalpha using calmodulin and syntide-2 incubated for 15 ... | 31972088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31972088 | 10.1021/acs.jmedchem.9b01779 | dengue virus type 2 | 2 |
| 31972088 | 10.1021/acs.jmedchem.9b01779 | BE(2)-C | 1 |
| 31972088 | 10.1021/acs.jmedchem.9b01779 | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine