Compound Detail
CHEMBL1347598
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Basic Information
| ChEMBL ID | CHEMBL1347598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYSXPNJDFDZNNT-MCJVGQIASA-N |
| Parent Compound | CHEMBL1617041 |
| Active Moiety | CHEMBL1617041 |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
2.66
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.56
IC50 1 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.56 | 4.84 | 2742.0 | 2 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.09 | 5.09 | 8196.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.07 | 5.07 | 8449.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.93 | 4.93 | 11858.0 | 1 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 4.59 | 4.59 | 25800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2742.0 | nM | 5.56 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 8196.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Zinc finger protein mex-5 | EC50 | = | 8449.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 11858.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 25800.0 | nM | 4.59 | PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla... | - |
| Unchecked | EC50 | = | 75604.0 | nM | 4.12 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
Data from ChEMBL 36 via Core Engine