Compound Detail
CHEMBL1347829
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Basic Information
| ChEMBL ID | CHEMBL1347829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGSHZAPPYXEFIH-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
398.4
MW (Da)
3.89
ALogP
7
HBA
1
HBD
103.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 5.72 | 5.72 | 1898.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.71 | 5.71 | 1962.0 | 1 |
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 4.83 | 4.83 | 14700.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 4.39 | 4.39 | 40580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-tyrosine kinase 2-beta | IC50 | = | 1898.0 | nM | 5.72 | PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... | - |
| Unchecked | IC50 | = | 1962.0 | nM | 5.71 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| SUMO-activating enzyme | IC50 | = | 14700.0 | nM | 4.83 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
| Estrogen receptor | IC50 | = | 40579.98 | nM | 4.39 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
Data from ChEMBL 36 via Core Engine