Compound Detail
CHEMBL313393
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Basic Information
| ChEMBL ID | CHEMBL313393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROXTWXQUWDZVDI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
212.2
MW (Da)
3.08
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent histone deacetylase SIR2 CHEMBL3275 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 49.5 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent histone deacetylase SIR2 | IC50 | = | 12000.0 | nM | 4.92 | 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 |
| 15115404 | 10.1021/jm030473r | ADMET | 1 |
Data from ChEMBL 36 via Core Engine