Compound Detail
CHEMBL1797749
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Basic Information
| ChEMBL ID | CHEMBL1797749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAYBKCHPEBZNGW-UHFFFAOYSA-N |
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
3.41
ALogP
5
HBA
1
HBD
109.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 4.97 | 4.8971 | 10800.0 | 7 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 10800.0 | nM | 4.97 | Inhibition of SIRT-2 (unknown origin) by fluorescence assay | 24602787 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 12500.0 | nM | 4.9 | Inhibition of SIRT2 | 21306906 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 12500.0 | nM | 4.9 | Inhibition of SIRT-2 (unknown origin) | 24602787 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 12500.0 | nM | 4.9 | Inhibition of SIRT2 (unknown origin) by Flour-de-Lys fluorescent biochemical ass... | 26005542 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 12500.0 | nM | 4.9 | Inhibition of SIRT2 (unknown origin) | 26005542 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 12500.0 | nM | 4.9 | Inhibition of SIRT2 (unknown origin) | 36490325 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 15500.0 | nM | 4.81 | Inhibition of sirtuin 2 (unknown origin) | 30342425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24602787 | 10.1016/j.ejmech.2014.02.003 | NAD-dependent protein deacetylase sirtuin-1 | 4 |
| 24602787 | 10.1016/j.ejmech.2014.02.003 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 4 |
| 24602787 | 10.1016/j.ejmech.2014.02.003 | NAD-dependent protein deacetylase sirtuin-2 | 2 |
| 26005542 | 10.1021/acsmedchemlett.5b00075 | NAD-dependent protein deacetylase sirtuin-2 | 2 |
| 21306906 | 10.1016/j.bmc.2011.01.018 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 22446090 | 10.1016/j.bmcl.2012.02.089 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 26005542 | 10.1021/acsmedchemlett.5b00075 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 1 |
| 26005542 | 10.1021/acsmedchemlett.5b00075 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 30469042 | 10.1016/j.ejmech.2018.11.031 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 30342425 | 10.1016/j.ejmech.2018.10.028 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 36490325 | 10.1021/acs.jmedchem.2c00799 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
Data from ChEMBL 36 via Core Engine