Compound Detail
CHEMBL402591
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Basic Information
| ChEMBL ID | CHEMBL402591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLUKSBBRGCRSPS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
2.90
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801 | IC50 | 4.82 | 4.82 | 15020.0 | 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 delta | IC50 | = | 15020.0 | nM | 4.82 | Inhibition of CaMK2delta | 18334294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18334294 | 10.1016/j.bmcl.2008.02.059 | Calcium/calmodulin-dependent protein kinase type II subunit delta | 1 |
Data from ChEMBL 36 via Core Engine