Compound Detail
CHEMBL4515601
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4515601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSNSVXAEVXTUID-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
4.43
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type II subunit alpha CHEMBL4147 | IC50 | 6.08 | 6.08 | 840.0 | 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 | = | 840.0 | nM | 6.08 | 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