Compound Detail
CHEMBL402446
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Basic Information
| ChEMBL ID | CHEMBL402446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLRNGKTYUCXTPF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
352.2
MW (Da)
5.08
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.65
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluo... | 18269226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18269226 | 10.1021/jm700972e | NAD-dependent protein deacetylase sirtuin-2 | 1 |
Data from ChEMBL 36 via Core Engine