Compound Detail
CHEMBL270110
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Basic Information
| ChEMBL ID | CHEMBL270110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFMUDELSZJEJKF-GOSISDBHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
4.90
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 6.0 | 6.0 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human recombinant Sirt2 expressed in Escherichia coli BL21 by fluo... | 18269226 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of SIRT2 | 21315612 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18269226 | 10.1021/jm700972e | MCF7 | 2 |
| 18269226 | 10.1021/jm700972e | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 21315612 | 10.1016/j.bmc.2011.01.026 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
Data from ChEMBL 36 via Core Engine