Compound Detail
CHEMBL4643733
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Basic Information
| ChEMBL ID | CHEMBL4643733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUICDDCLDBHMCH-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
2.18
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 4.84 | 4.43 | 14300.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 14300.0 | nM | 4.84 | Inhibition of SIRT2 deacetylation activity (unknown origin) using H3K9Ac ( 4 to ... | 32061485 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 22100.0 | nM | 4.66 | Inhibition of SIRT2 deacetylation activity (unknown origin) using H4K8Ac (3 to 1... | 32061485 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 73600.0 | nM | 4.13 | Inhibition of SIRT2 defatty-acylation activity (unknown origin) using H4K8-Myr (... | 32061485 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 81000.0 | nM | 4.09 | Inhibition of SIRT2 debenzoylation activity (unknown origin) using benzoylated h... | 32061485 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32061485 | 10.1016/j.bmc.2020.115353 | NAD-dependent protein deacetylase sirtuin-2 | 7 |
| 32061485 | 10.1016/j.bmc.2020.115353 | Unchecked | 3 |
| 32061485 | 10.1016/j.bmc.2020.115353 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 32061485 | 10.1016/j.bmc.2020.115353 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 1 |
| 32061485 | 10.1016/j.bmc.2020.115353 | NAD-dependent protein deacylase sirtuin-5, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine