Compound Detail
CHEMBL218328
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Basic Information
| ChEMBL ID | CHEMBL218328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBFDERUQORUFIN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
4.17
ALogP
4
HBA
2
HBD
70.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801 | IC50 | 5.72 | 5.72 | 1890.0 | 1 |
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.0 | 4.0 | 100000.0 | 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 | = | 1890.0 | nM | 5.72 | Inhibition of CaMK2delta | 18334295 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 8300.0 | nM | 5.08 | Inhibition of human recombinant SIRT2 | 17149860 |
| Unchecked | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of sheep brain dynamin 1 GTPase activity by malachite green GTPase as... | 19459681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17149860 | 10.1021/jm060118b | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 17149860 | 10.1021/jm060118b | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 18334295 | 10.1016/j.bmcl.2008.02.058 | Calcium/calmodulin-dependent protein kinase type II subunit delta | 1 |
| 19459681 | 10.1021/jm900036m | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine