Compound Detail
CHEMBL3580805
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Basic Information
| ChEMBL ID | CHEMBL3580805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQTFYIZFSUADOP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
5.82
ALogP
4
HBA
1
HBD
52.9
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of SIRT2 (unknown origin) by Flour-de-Lys fluorescent biochemical ass... | 26005542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26005542 | 10.1021/acsmedchemlett.5b00075 | NAD-dependent protein deacetylase sirtuin-2 | 4 |
| 26005542 | 10.1021/acsmedchemlett.5b00075 | ADMET | 1 |
| 26005542 | 10.1021/acsmedchemlett.5b00075 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 1 |
| 26005542 | 10.1021/acsmedchemlett.5b00075 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
Data from ChEMBL 36 via Core Engine