Compound Detail
CHEMBL3237023
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CN(c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL3237023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTQATTXAHSSCCI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
3.04
ALogP
6
HBA
1
HBD
124.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of SIRT-2 (unknown origin) by fluorescence assay | 24602787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24602787 | 10.1016/j.ejmech.2014.02.003 | NAD-dependent protein deacetylase sirtuin-2 | 2 |
| 24602787 | 10.1016/j.ejmech.2014.02.003 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 24602787 | 10.1016/j.ejmech.2014.02.003 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine