Compound Detail
CHEMBL2152587
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Basic Information
| ChEMBL ID | CHEMBL2152587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFDXCJPNOYIVGC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
226.3
MW (Da)
2.55
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-1 CHEMBL4506 | IC50 | 4.12 | 4.12 | 75000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-1 | IC50 | = | 75000.0 | nM | 4.12 | Inhibition of human recombinant SIRT1 using Fluor de Lys-SIRT as substrate incub... | 22642300 |
| NAD-dependent protein deacetylase sirtuin-1 | IC50 | = | 75000.0 | nM | 4.12 | Inhibition of SIRT1 (unknown origin) using acetylated lysine as substrate by Flu... | 27153347 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22642300 | 10.1021/jm3002108 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 22642300 | 10.1021/jm3002108 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 27153347 | 10.1016/j.ejmech.2016.04.063 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
Data from ChEMBL 36 via Core Engine