Compound Detail
CHEMBL4174893
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1cc(C)nc(SCC(=O)Nc2cccc(COc3ccc(NC(=O)C4CCCN4C(=O)OC(C)(C)C)cc3)c2)n1
Basic Information
| ChEMBL ID | CHEMBL4174893 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZTOQUYAFGGWNQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
591.7
MW (Da)
5.74
ALogP
8
HBA
2
HBD
122.8
PSA (Ų)
0.24
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 4.12 | 4.12 | 75857.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 76100.0 | nM | 4.12 | Inhibition of recombinant His-tagged SIRT2 (56 to 356 residues) (unknown origin)... | 29957526 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 75857.76 | nM | 4.12 | 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