Compound Detail
CHEMBL1797748
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Basic Information
| ChEMBL ID | CHEMBL1797748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXOXXSFCYUXJNV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
4.67
ALogP
3
HBA
3
HBD
68.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-1 CHEMBL4506 | IC50 | 4.76 | 4.76 | 17500.0 | 1 |
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 4.29 | 4.29 | 50800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-1 | IC50 | = | 17500.0 | nM | 4.76 | Inhibition of human recombinant SIRT1 expressed in Escherichia coli incubated at... | 21306905 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 50800.0 | nM | 4.29 | Inhibition of human recombinant SIRT2 expressed in Escherichia coli incubated at... | 21306905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21306905 | 10.1016/j.bmc.2011.01.025 | U-937 | 3 |
| 21306905 | 10.1016/j.bmc.2011.01.025 | NAD-dependent protein deacetylase sirtuin-1 | 2 |
| 21306905 | 10.1016/j.bmc.2011.01.025 | NAD-dependent protein deacetylase sirtuin-2 | 2 |
Data from ChEMBL 36 via Core Engine