Compound Detail
CHEMBL3358391
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Basic Information
| ChEMBL ID | CHEMBL3358391 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPSPDZNAUKTMPS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
403.3
MW (Da)
5.92
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 6.22 | 6.22 | 600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of GST-tagged human recombinant SIRT2 (34 to 356 residues) expressed ... | 25515955 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of sirtuin 2 (unknown origin) | 30342425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25515955 | 10.1016/j.bmc.2014.11.027 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 25515955 | 10.1016/j.bmc.2014.11.027 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 25515955 | 10.1016/j.bmc.2014.11.027 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 1 |
| 30342425 | 10.1016/j.ejmech.2018.10.028 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
Data from ChEMBL 36 via Core Engine