Compound Detail
CHEMBL5614132
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Basic Information
| ChEMBL ID | CHEMBL5614132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZYJYQLNHZCLDV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
502.7
MW (Da)
3.17
ALogP
8
HBA
3
HBD
113.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| NAD-dependent protein deacetylase sirtuin-1 CHEMBL4506 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
| NAD-dependent protein deacetylase sirtuin-3, mitochondrial CHEMBL4461 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 2.7 | nM | 8.57 | Inhibition of SIRT2 (unknown origin) | 39053191 |
| NAD-dependent protein deacetylase sirtuin-1 | IC50 | = | 3.6 | nM | 8.44 | Inhibition of SIRT1 (unknown origin) | 39053191 |
| NAD-dependent protein deacetylase sirtuin-3, mitochondrial | IC50 | = | 5.0 | nM | 8.3 | Inhibition of recombinant human SIRT3 using Fluor de lys as substrate incubated ... | 39053191 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39053191 | 10.1016/j.ejmech.2024.116689 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 3 |
| 39053191 | 10.1016/j.ejmech.2024.116689 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 39053191 | 10.1016/j.ejmech.2024.116689 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
Data from ChEMBL 36 via Core Engine