Compound Detail
CHEMBL88830
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
Basic Information
| ChEMBL ID | CHEMBL88830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVWJMUQAAQLJHL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
2.70
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent histone deacetylase SIR2 CHEMBL3275 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent histone deacetylase SIR2 | IC50 | = | 39000.0 | nM | 4.41 | In vitro inhibition of sirtuin 2 was evaluated using yeast whole cell lysates | 15115404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115404 | 10.1021/jm030473r | NAD-dependent histone deacetylase SIR2 | 3 |
Data from ChEMBL 36 via Core Engine