Compound Detail
CHEMBL220458
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 | CHEMBL220458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLSLKKKKVPNPDP-ZNLRHDTNSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.4
MW (Da)
5.64
ALogP
6
HBA
3
HBD
85.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 4.13 | 4.13 | 74000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 74300.0 | nM | 4.13 | Inhibition of SIRT2 | 17181175 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 74300.0 | nM | 4.13 | Inhibition of human recombinant GST-tagged SIRT2 by histone deacetylase assay | 15566299 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 74000.0 | nM | 4.13 | Inhibition of Sirt2 | 21316248 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17181175 | 10.1021/jm060566j | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 15566299 | 10.1021/jm049933m | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 21316248 | 10.1016/j.bmc.2011.01.029 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
Data from ChEMBL 36 via Core Engine