Compound Detail
CHEMBL5204662
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5204662 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEQRLIKEMUPGKV-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
1.54
ALogP
7
HBA
4
HBD
154.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.92
IC50 2 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-5, mitochondrial CHEMBL2163183 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
| NAD-dependent protein deacylase sirtuin-5, mitochondrial CHEMBL2163183 | IC50 | 5.14 | 5.14 | 7200.0 | 2 |
| Nucleoside diphosphate kinase, mitochondrial CHEMBL4488 | EC50 | 5.11 | 5.11 | 7800.0 | 1 |
| Glutaryl-CoA dehydrogenase, mitochondrial CHEMBL3817721 | EC50 | 4.22 | 4.22 | 59500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | EC50 | = | 1200.0 | nM | 5.92 | Binding affinity to Sirt5 in human MCF7 cell lysate by pull down assay based LC-... | 35853430 |
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | IC50 | = | 7200.0 | nM | 5.14 | Inhibition of recombinant human Sirt5 incubated for 1 hr by FLUOR DE LYS fluorom... | 35853430 |
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | IC50 | = | 7200.0 | nM | 5.14 | Inhibition of human SIRT5 | 36543033 |
| Nucleoside diphosphate kinase, mitochondrial | EC50 | = | 7800.0 | nM | 5.11 | Binding affinity to NME4 in human MCF7 cell lysate by pull down assay based LC-M... | 35853430 |
| Glutaryl-CoA dehydrogenase, mitochondrial | EC50 | = | 59500.0 | nM | 4.22 | Binding affinity to GCDH in human MCF7 cell lysate by pull down assay based LC-M... | 35853430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35853430 | 10.1016/j.ejmech.2022.114594 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 5 |
| 35853430 | 10.1016/j.ejmech.2022.114594 | HeLa | 1 |
| 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 |
| 35853430 | 10.1016/j.ejmech.2022.114594 | Nucleoside diphosphate kinase, mitochondrial | 1 |
| 35853430 | 10.1016/j.ejmech.2022.114594 | Glutaryl-CoA dehydrogenase, mitochondrial | 1 |
| 36543033 | 10.1016/j.ejmech.2022.115024 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine