Compound Detail
CHEMBL270292
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Basic Information
| ChEMBL ID | CHEMBL270292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJBSTCRRPXSAHA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
353.2
MW (Da)
5.04
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 6.0 | 5.64 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous ... | 24900427 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluo... | 18269226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18269226 | 10.1021/jm700972e | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 24900427 | 10.1021/ml3002709 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 1 |
| 24900427 | 10.1021/ml3002709 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 1 |
| 24900427 | 10.1021/ml3002709 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 24900427 | 10.1021/ml3002709 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
Data from ChEMBL 36 via Core Engine