Compound Detail
CHEMBL5512474
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Basic Information
| ChEMBL ID | CHEMBL5512474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQUXCVQVERPGEC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
529.7
MW (Da)
6.13
ALogP
5
HBA
2
HBD
66.2
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 6.19 | 5.685 | 640.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 640.0 | nM | 6.19 | Inhibition of human Sirt2 (56 to 356 residues) deacetylation expressed in Escher... | 38847803 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 6650.0 | nM | 5.18 | Inhibition of human Sirt2 (56 to 356 residues) demyristoylation expressed in Esc... | 38847803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38847803 | 10.1021/acs.jmedchem.4c00229 | NAD-dependent protein deacetylase sirtuin-2 | 4 |
| 38847803 | 10.1021/acs.jmedchem.4c00229 | Unchecked | 2 |
| 38847803 | 10.1021/acs.jmedchem.4c00229 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 38847803 | 10.1021/acs.jmedchem.4c00229 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 1 |
| 38847803 | 10.1021/acs.jmedchem.4c00229 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine