Compound Detail
CHEMBL3233739
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Basic Information
| ChEMBL ID | CHEMBL3233739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRPBDXPQYUSWFL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
409.3
MW (Da)
4.89
ALogP
2
HBA
3
HBD
68.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-1 CHEMBL4506 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-1 | IC50 | = | 37000.0 | nM | 4.43 | Inhibition of C-terminal His-6-tagged recombinant human SIRT1 expressed in Esche... | 24697269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24697269 | 10.1021/jm4018064 | NAD-dependent protein deacetylase sirtuin-1 | 3 |
| 24697269 | 10.1021/jm4018064 | NAD-dependent protein deacetylase sirtuin-2 | 2 |
| 24697269 | 10.1021/jm4018064 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 2 |
Data from ChEMBL 36 via Core Engine