Compound Detail
CHEMBL4778520
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Basic Information
| ChEMBL ID | CHEMBL4778520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTUGLISWKJCYIT-AWEZNQCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
774.9
MW (Da)
4.36
ALogP
3
HBA
3
HBD
83.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacylase sirtuin-5, mitochondrial CHEMBL2163183 | IC50 | 5.66 | 5.66 | 2200.0 | 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 | = | 2200.0 | nM | 5.66 | Inhibition of SIRT5 (unknown origin) | 32858418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32858418 | 10.1016/j.ejmech.2020.112676 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine