Compound Detail
CHEMBL4590449
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Basic Information
| ChEMBL ID | CHEMBL4590449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGZHCVMUAKFOIG-SDNWHVSQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
434.3
MW (Da)
6.35
ALogP
4
HBA
1
HBD
78.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 5.46 | 5.255 | 3500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of recombinant human SIRT2 deacylation activity using fluorogenic p53... | 31117516 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 8900.0 | nM | 5.05 | Inhibition of recombinant human SIRT2 deacylation activity using Fluor de Lys Si... | 31117516 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31117516 | 10.1021/acs.jmedchem.9b00315 | NAD-dependent protein deacetylase sirtuin-2 | 5 |
| 31117516 | 10.1021/acs.jmedchem.9b00315 | NAD-dependent protein deacetylase sirtuin-1 | 3 |
| 31117516 | 10.1021/acs.jmedchem.9b00315 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 2 |
| 31117516 | 10.1021/acs.jmedchem.9b00315 | NAD-dependent protein deacylase sirtuin-6 | 1 |
Data from ChEMBL 36 via Core Engine