Compound Detail
CHEMBL4858490
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Basic Information
| ChEMBL ID | CHEMBL4858490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXUFHOXOQHQDGX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
1.90
ALogP
4
HBA
2
HBD
84.7
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-1 CHEMBL4506 | IC50 | 4.5 | 4.5 | 31600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-1 | IC50 | = | 31600.0 | nM | 4.5 | Inhibition of His6-tagged SIRT1 (unknown origin) expressed in Escherichia coli B... | 33876629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33876629 | 10.1021/acs.jmedchem.1c00017 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 33876629 | 10.1021/acs.jmedchem.1c00017 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 33876629 | 10.1021/acs.jmedchem.1c00017 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine