Compound Detail
CHEMBL1222385
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Basic Information
| ChEMBL ID | CHEMBL1222385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSSNHLJWIDWUJU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
3.05
ALogP
5
HBA
1
HBD
78.9
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.01 | 5.305 | 979.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.66 | 5.66 | 2213.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 979.0 | nM | 6.01 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 2213.0 | nM | 5.66 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 24861.0 | nM | 4.6 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18552832 | 10.1038/nchembio.95 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine