Compound Detail
CHEMBL5205195
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Basic Information
| ChEMBL ID | CHEMBL5205195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMSWPDDAFOWTAT-QZQOTICOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
359.3
MW (Da)
3.14
ALogP
5
HBA
3
HBD
128.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-5, mitochondrial CHEMBL2163183 | IC50 | 4.63 | 4.63 | 23600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | IC50 | = | 23600.0 | nM | 4.63 | Inhibition of recombinant human Sirt5 incubated for 1 hr by FLUOR DE LYS fluorom... | 35853430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35853430 | 10.1016/j.ejmech.2022.114594 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 2 |
| 35853430 | 10.1016/j.ejmech.2022.114594 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 35853430 | 10.1016/j.ejmech.2022.114594 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 35853430 | 10.1016/j.ejmech.2022.114594 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine