Compound Detail
CHEMBL490905
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Basic Information
| ChEMBL ID | CHEMBL490905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFEIVIYLCPBBNV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
336.8
MW (Da)
4.45
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.30
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 5.03 | 5.03 | 9400.0 | 2 |
| NAD-dependent protein deacetylase sirtuin-1 CHEMBL4506 | IC50 | 4.05 | 4.05 | 89800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 9400.0 | nM | 5.03 | Inhibition of human recombinant SIRT2 by Flour de Lys assay | 20041717 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 9400.0 | nM | 5.03 | Inhibition of human recombinant SIRT2 expressed in Escherichia coli incubated at... | 21306905 |
| NAD-dependent protein deacetylase sirtuin-1 | IC50 | = | 89800.0 | nM | 4.05 | Inhibition of human recombinant SIRT1 by Flour de Lys assay | 20041717 |
| NAD-dependent protein deacetylase sirtuin-1 | IC50 | = | 89800.0 | nM | 4.05 | Inhibition of human recombinant SIRT1 expressed in Escherichia coli incubated at... | 21306905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20041717 | 10.1021/jm9013345 | Caenorhabditis elegans | 4 |
| 21306905 | 10.1016/j.bmc.2011.01.025 | NAD-dependent protein deacetylase sirtuin-1 | 2 |
| 21306905 | 10.1016/j.bmc.2011.01.025 | NAD-dependent protein deacetylase sirtuin-2 | 2 |
| 21306905 | 10.1016/j.bmc.2011.01.025 | U-937 | 2 |
| 19419202 | 10.1021/jm8014298 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 20041717 | 10.1021/jm9013345 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 20041717 | 10.1021/jm9013345 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
Data from ChEMBL 36 via Core Engine