Compound Detail
CHEMBL611665
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Basic Information
| ChEMBL ID | CHEMBL611665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFMCRAXOACCPEL-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
214.2
MW (Da)
0.98
ALogP
4
HBA
1
HBD
76.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-1 CHEMBL4506 | IC50 | 5.28 | 5.28 | 5300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-1 | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of human recombinant SIRT1 by Flour de Lys assay | 20041717 |
| NAD-dependent protein deacetylase sirtuin-1 | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of recombinant human SIRT1 expressed in Escherichia coli using Fluor ... | 35694689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20041717 | 10.1021/jm9013345 | Caenorhabditis elegans | 3 |
| 20041717 | 10.1021/jm9013345 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 20041717 | 10.1021/jm9013345 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 35694689 | 10.1039/d2md00076h | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 35694689 | 10.1039/d2md00076h | NAD-dependent protein deacetylase sirtuin-2 | 1 |
Data from ChEMBL 36 via Core Engine