Compound Detail
CHEMBL1483080
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Basic Information
| ChEMBL ID | CHEMBL1483080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZALJKMCUUXBKR-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
1.08
ALogP
3
HBA
3
HBD
74.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aspartyl aminopeptidase CHEMBL1293263 | IC50 | 5.78 | 5.78 | 1671.0 | 1 |
| NAD-dependent protein deacetylase sirtuin-1 CHEMBL4506 | IC50 | 5.23 | 5.2233 | 5900.0 | 3 |
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 4.7 | 4.7 | 20000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aspartyl aminopeptidase | IC50 | = | 1671.0 | nM | 5.78 | PUBCHEM_BIOASSAY: QFRET-based biochemical high throughput dose response assay fo... | - |
| NAD-dependent protein deacetylase sirtuin-1 | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of recombinant human GST-tagged SIRT-1 using ZMAL as substrate after ... | - |
| NAD-dependent protein deacetylase sirtuin-1 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of SIRT1 | 21080630 |
| NAD-dependent protein deacetylase sirtuin-1 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of sirtuin 1 (unknown origin) | 30342425 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of SIRT2 | 21080630 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of sirtuin 2 (unknown origin) | 30342425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28241112 | 10.1021/acs.jmedchem.6b01595 | Schistosoma mansoni | 3 |
| 21080630 | 10.1021/jm100861p | Unchecked | 1 |
| 21080630 | 10.1021/jm100861p | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 21080630 | 10.1021/jm100861p | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| - | 10.1039/C1MD00199J | Unchecked | 1 |
| - | 10.1039/C1MD00199J | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 30342425 | 10.1016/j.ejmech.2018.10.028 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 30342425 | 10.1016/j.ejmech.2018.10.028 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 30342425 | 10.1016/j.ejmech.2018.10.028 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine