Compound Detail
CHEMBL1490555
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Basic Information
| ChEMBL ID | CHEMBL1490555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIFMWRGSCOJECV-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
4.72
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.71 | 5.46 | 193.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 6.52 | 5.64 | 305.0 | 2 |
| Serine/threonine-protein phosphatase CHEMBL1293271 | EC50 | 4.61 | 4.61 | 24723.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 193.0 | nM | 6.71 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 305.0 | nM | 6.52 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Unchecked | EC50 | = | 17179.0 | nM | 4.76 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
| Serine/threonine-protein phosphatase | EC50 | = | 24723.0 | nM | 4.61 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 62438.0 | nM | 4.21 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
Data from ChEMBL 36 via Core Engine