Compound Detail
CHEMBL1557243
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Basic Information
| ChEMBL ID | CHEMBL1557243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVJCUSHRHPTHNL-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1624163 |
| Active Moiety | CHEMBL1624163 |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
4.22
ALogP
1
HBA
0
HBD
8.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.2
IC50 3 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.2 | 6.2 | 634.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.51 | 5.51 | 3089.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.54 | 4.54 | 29038.0 | 1 |
| Beta-lactamase CHEMBL1293260 | IC50 | 4.4 | 4.4 | 40075.0 | 1 |
| Beta-lactamase CHEMBL1293244 | IC50 | 4.38 | 4.38 | 41846.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 634.0 | nM | 6.2 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 3089.0 | nM | 5.51 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Beta Lactamase | IC50 | = | 29038.0 | nM | 4.54 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta-lactamase | IC50 | = | 40075.0 | nM | 4.4 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta-lactamase | IC50 | = | 41846.0 | nM | 4.38 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
Data from ChEMBL 36 via Core Engine