Compound Detail
CHEMBL226115
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Basic Information
| ChEMBL ID | CHEMBL226115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLNPVNZJCWIQSK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
396.8
MW (Da)
3.76
ALogP
5
HBA
0
HBD
79.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 4.46 | 4.46 | 35000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of human recombinant SIRT2 using fluorescent peptide substrate by flu... | 17588900 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of SIRT-2 (unknown origin) | - |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of sirtuin 2 (unknown origin) | 30342425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17588900 | 10.1126/science.1143780 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 17588900 | 10.1126/science.1143780 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 17588900 | 10.1126/science.1143780 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 1 |
| 17588900 | 10.1126/science.1143780 | Midbrain | 1 |
| - | 10.1039/C1MD00199J | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 30342425 | 10.1016/j.ejmech.2018.10.028 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
Data from ChEMBL 36 via Core Engine