Compound Detail
CHEMBL597477
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Basic Information
| ChEMBL ID | CHEMBL597477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUZYTVDVLBBXDL-VIFPVBQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
248.7
MW (Da)
2.73
ALogP
1
HBA
2
HBD
58.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-1 CHEMBL4506 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-1 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of human recombinant SIRT1 by Flour de Lys assay | 20041717 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20041717 | 10.1021/jm9013345 | Caenorhabditis elegans | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 20041717 | 10.1021/jm9013345 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 20041717 | 10.1021/jm9013345 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine