Compound Detail
CHEMBL4072635
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Basic Information
| ChEMBL ID | CHEMBL4072635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXUUSUJEPKBBBB-CXUHLZMHSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
4.20
ALogP
5
HBA
2
HBD
127.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-5, mitochondrial CHEMBL2163183 | IC50 | 5.25 | 5.246 | 5590.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues)... | 29494161 |
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of SIRT5 (unknown origin) | 34461505 |
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | IC50 | = | 5590.0 | nM | 5.25 | Inhibition of human recombinant SIRT5 using fluorogenic Benzyl-Lys(Succinyl)-AMC... | 35802779 |
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of human SIRT5 | 36543033 |
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of human recombinant SIRT5 using Benzyl-Lys(succinyl)-AMC as substrat... | 35436671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29494161 | 10.1021/acs.jmedchem.7b01648 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 1 |
| 34461505 | 10.1016/j.ejmech.2021.113803 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 1 |
| 35436671 | 10.1016/j.ejmech.2022.114363 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 1 |
| 35802779 | 10.1021/acs.jmedchem.2c00687 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 1 |
| 36543033 | 10.1016/j.ejmech.2022.115024 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine