Compound Detail
CHEMBL4520707
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Basic Information
| ChEMBL ID | CHEMBL4520707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSPQFTWRPNXPMH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
345.2
MW (Da)
4.17
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 4.34 | 4.34 | 45800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 45800.0 | nM | 4.34 | Inhibition of human recombinant SIRT2 using p53 (317 to 320 residues) conjugated... | 32904142 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32904142 | 10.1039/C9MD00323A | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 32904142 | 10.1039/C9MD00323A | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 32904142 | 10.1039/C9MD00323A | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine