Compound Detail
CHEMBL4079934
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Basic Information
| ChEMBL ID | CHEMBL4079934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTHZHWWWTOWRMG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
4.40
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 4.59 | 4.585 | 25900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 25900.0 | nM | 4.59 | Inhibition of recombinant His-tagged SIRT2 (56 to 356 residues) (unknown origin)... | 29957526 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 26302.68 | nM | 4.58 | Inhibition of recombinant His-tagged SIRT2 (56 to 356 residues) (unknown origin)... | 29957526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30774863 | 10.1039/C8MD00462E | NAD-dependent protein deacetylase sirtuin-2 | 4 |
| 28415012 | 10.1016/j.ejmech.2017.04.010 | NAD-dependent protein deacetylase sirtuin-2 | 2 |
| 29957526 | 10.1016/j.ejmech.2018.06.041 | NAD-dependent protein deacetylase sirtuin-2 | 2 |
Data from ChEMBL 36 via Core Engine