Compound Detail
CHEMBL1309254
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Basic Information
| ChEMBL ID | CHEMBL1309254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFTUIYAMZMOGOC-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
222.2
MW (Da)
2.97
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 4.95 | 4.95 | 11247.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 4.78 | 4.78 | 16600.0 | 1 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 4.67 | 4.67 | 21200.0 | 1 |
| Nuclear receptor coactivator 1 CHEMBL1615387 | IC50 | 4.64 | 4.64 | 22721.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.26 | 4.22 | 54800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 | IC50 | = | 11247.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Sentrin-specific protease 6 | IC50 | = | 16600.0 | nM | 4.78 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 21200.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla... | - |
| Nuclear receptor coactivator 1 | IC50 | = | 22721.0 | nM | 4.64 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Caspase-3 | IC50 | = | 54800.0 | nM | 4.26 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Caspase-3 | IC50 | = | 65400.0 | nM | 4.18 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
Data from ChEMBL 36 via Core Engine