Compound Detail
CHEMBL4852253
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Basic Information
| ChEMBL ID | CHEMBL4852253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXBZBFMUHVCKOL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
2.12
ALogP
6
HBA
4
HBD
125.8
PSA (Ų)
0.19
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-5, mitochondrial CHEMBL2163183 | IC50 | 4.52 | 4.52 | 29900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | IC50 | = | 29900.0 | nM | 4.52 | Inhibition of human recombinant SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-... | 34461505 |
| NAD-dependent protein deacylase sirtuin-5, mitochondrial | IC50 | = | 29922.65 | nM | 4.52 | Inhibition of human recombinant SIRT5 (34 to 269 residues) using Ac-Leu-Gly-Ser-... | 34461505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34461505 | 10.1016/j.ejmech.2021.113803 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 2 |
Data from ChEMBL 36 via Core Engine