Compound Detail
CHEMBL1472105
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Basic Information
| ChEMBL ID | CHEMBL1472105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHXLBOSHWBLWNC-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
275.4
MW (Da)
2.75
ALogP
5
HBA
2
HBD
58.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.46 | 5.74 | 351.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 6.43 | 6.43 | 368.0 | 1 |
| Serine/threonine-protein phosphatase CHEMBL1293271 | EC50 | 4.69 | 4.69 | 20218.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 351.0 | nM | 6.46 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 368.0 | nM | 6.43 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 9481.0 | nM | 5.02 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Serine/threonine-protein phosphatase | EC50 | = | 20218.0 | nM | 4.69 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
Data from ChEMBL 36 via Core Engine