Compound Detail
CHEMBL403308
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Basic Information
| ChEMBL ID | CHEMBL403308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUFSINOSQBMSLE-JOCHJYFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
5.03
ALogP
6
HBA
2
HBD
69.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-1 CHEMBL4506 | EC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-1 | EC50 | = | 360.0 | nM | 6.44 | Activation of human SIRT1 expressed in Escherichia coli BL21 by mass spectrometr... | 18046409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18046409 | 10.1038/nature06261 | NAD-dependent protein deacetylase sirtuin-1 | 4 |
| 18046409 | 10.1038/nature06261 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 18046409 | 10.1038/nature06261 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine