Compound Detail
CHEMBL1527022
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Basic Information
| ChEMBL ID | CHEMBL1527022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFBNDVZJZQCLFD-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
3.63
ALogP
4
HBA
1
HBD
61.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.96
IC50 1 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | IC50 | 6.56 | 6.56 | 278.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.96 | 5.96 | 1090.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.63 | 5.63 | 2323.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | IC50 | = | 278.0 | nM | 6.56 | PUBCHEM_BIOASSAY: Inhibitors of Bacterial Quorum Sensing Structure Activity Rela... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 1090.0 | nM | 5.96 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 2323.0 | nM | 5.63 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
Data from ChEMBL 36 via Core Engine