Compound Detail
CHEMBL4169477
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Basic Information
| ChEMBL ID | CHEMBL4169477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBMSTXZGVOXVMR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
538.7
MW (Da)
3.83
ALogP
7
HBA
4
HBD
117.3
PSA (Ų)
0.16
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 4.93 | 4.93 | 11700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 11700.0 | nM | 4.93 | Inhibition of recombinant His-tagged SIRT2 (56 to 356 residues) (unknown origin)... | 29957526 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 11748.98 | nM | 4.93 | Inhibition of recombinant His-tagged SIRT2 (56 to 356 residues) (unknown origin)... | 29957526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29957526 | 10.1016/j.ejmech.2018.06.041 | NAD-dependent protein deacetylase sirtuin-2 | 2 |
Data from ChEMBL 36 via Core Engine