Compound Detail
CHEMBL257851
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Cc1[nH]c2ccccc2c1C1=C(c2cn(CCCNC(=O)OC(C)(C)C)c3ccccc23)C(=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL257851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFSPXCKELKWFBZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
4.91
ALogP
5
HBA
3
HBD
105.2
PSA (Ų)
0.26
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801 | IC50 | 5.12 | 5.12 | 7610.0 | 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 | = | 7610.0 | nM | 5.12 | 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