Compound Detail
CHEMBL522620
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Basic Information
| ChEMBL ID | CHEMBL522620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYXPQIXPVICQOQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
416.6
MW (Da)
5.82
ALogP
4
HBA
2
HBD
58.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 1000.0 | nM | 6.0 | 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 | NCI-H1299 | 2 |
| 19419202 | 10.1021/jm8014298 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
Data from ChEMBL 36 via Core Engine