Compound Detail
CHEMBL491106
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 | CHEMBL491106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFRPRVFZJKGBTR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
5.21
ALogP
4
HBA
2
HBD
58.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 4.65 | 4.65 | 22200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 22200.0 | nM | 4.65 | Inhibition of human recombinant SIRT2 | 19419202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19419202 | 10.1021/jm8014298 | NAD-dependent protein deacetylase sirtuin-2 | 2 |
| 19419202 | 10.1021/jm8014298 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
Data from ChEMBL 36 via Core Engine