Compound Detail
CHEMBL4589851
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Basic Information
| ChEMBL ID | CHEMBL4589851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWTPPOVCBVJGKQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
3.67
ALogP
6
HBA
3
HBD
110.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 5.93 | 5.93 | 1180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 1180.0 | nM | 5.93 | Inhibition of human N-terminal His-tagged SIRT2 expressed in Escherichia coli us... | 31144814 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31144814 | 10.1021/acs.jmedchem.9b00255 | NAD-dependent protein deacetylase sirtuin-2 | 3 |
| 31144814 | 10.1021/acs.jmedchem.9b00255 | NAD-dependent protein deacetylase sirtuin-1 | 2 |
| 31144814 | 10.1021/acs.jmedchem.9b00255 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 2 |
| 31144814 | 10.1021/acs.jmedchem.9b00255 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine