Compound Detail
CHEMBL1547468
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Basic Information
| ChEMBL ID | CHEMBL1547468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHUPLYMVBIGOOJ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
319.3
MW (Da)
3.36
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.39 | 5.235 | 404.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 6.31 | 5.585 | 492.0 | 2 |
| Troponin, cardiac muscle CHEMBL2095202 | EC50 | 5.54 | 5.54 | 2901.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 404.0 | nM | 6.39 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 492.0 | nM | 6.31 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Troponin, cardiac muscle | EC50 | = | 2901.0 | nM | 5.54 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Unchecked | EC50 | = | 13868.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Counterscreen for activators of the calcium sensitivity of car... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 82831.0 | nM | 4.08 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
Data from ChEMBL 36 via Core Engine