Compound Detail
CHEMBL1328373
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Basic Information
| ChEMBL ID | CHEMBL1328373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTNYJLMDGBTJQY-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
3.45
ALogP
5
HBA
0
HBD
54.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.85 | 5.2733 | 1404.0 | 3 |
| Serine/threonine-protein phosphatase CHEMBL1293271 | EC50 | 5.41 | 5.41 | 3921.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.23 | 4.23 | 59407.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 1404.0 | nM | 5.85 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Serine/threonine-protein phosphatase | EC50 | = | 3921.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 5664.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 19215.0 | nM | 4.72 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Measure Toxicity of... | - |
| Unchecked | EC50 | = | 59407.0 | nM | 4.23 | PUBCHEM_BIOASSAY: Screen for small molecule probes relevant to Friedreichs ataxi... | - |
Data from ChEMBL 36 via Core Engine