Compound Detail
CHEMBL3220458
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Basic Information
| ChEMBL ID | CHEMBL3220458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRVQXJZQWXXUFW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
3.76
ALogP
5
HBA
2
HBD
76.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 5.41 | 5.405 | 3900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of human recombinant Sirt2 using ZMAL as substrate after 4 hrs by flu... | - |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 3981.07 | nM | 5.4 | Inhibition of human recombinant Sirt2 using ZMAL as substrate after 4 hrs by flu... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00214G | NAD-dependent protein deacetylase sirtuin-2 | 2 |
Data from ChEMBL 36 via Core Engine