Compound Detail
CHEMBL2152586
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Basic Information
| ChEMBL ID | CHEMBL2152586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJCOBMTYEDBBSY-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
213.2
MW (Da)
2.58
ALogP
2
HBA
1
HBD
52.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Catenin beta-1 CHEMBL5866 | Ki | 4.61 | 4.61 | 24390.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Catenin beta-1 | Ki | = | 24390.0 | nM | 4.61 | AlphaScreen Assay: Experiments were performed in white opaque 384-well plates fr... | - |
| Catenin beta-1 | Ki | = | 24390.0 | nM | 4.61 | AlphaScreen Assay: Experiments were performed in white opaque 384-well plates fr... | - |
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 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 27153347 | 10.1016/j.ejmech.2016.04.063 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
Data from ChEMBL 36 via Core Engine