Compound Detail
CHEMBL3236132
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Basic Information
| ChEMBL ID | CHEMBL3236132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVKHKNXEQDIDAW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
4.37
ALogP
5
HBA
2
HBD
85.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 6.24 | 5.76 | 570.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 570.0 | nM | 6.24 | Inhibition of sirtuin 2 (unknown origin) | 30342425 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of human recombinant SIRT2 using Fluor-de-Lys as substrate incubated ... | 24675380 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24675380 | 10.1016/j.bmcl.2014.03.026 | NAD-dependent protein deacetylase sirtuin-2 | 2 |
| 24675380 | 10.1016/j.bmcl.2014.03.026 | NAD-dependent protein deacetylase sirtuin-1 | 2 |
| 24675380 | 10.1016/j.bmcl.2014.03.026 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 2 |
| 30342425 | 10.1016/j.ejmech.2018.10.028 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
Data from ChEMBL 36 via Core Engine