Compound Detail
CHEMBL256259
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CC(C)(C)OC(=O)NCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL256259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYTKATDUSQSLFA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
4.60
ALogP
5
HBA
3
HBD
105.2
PSA (Ų)
0.27
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801 | IC50 | 5.42 | 5.42 | 3810.0 | 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 delta | IC50 | = | 3810.0 | nM | 5.42 | Inhibition of CaMK2delta | 18334294 |
| Calcium/calmodulin-dependent protein kinase type II subunit delta | IC50 | = | 3810.0 | nM | 5.42 | Inhibition of CaMK2delta | 18334295 |
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 |
| 18334295 | 10.1016/j.bmcl.2008.02.058 | Calcium/calmodulin-dependent protein kinase type II subunit delta | 1 |
Data from ChEMBL 36 via Core Engine