Compound Detail
CHEMBL1789998
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Basic Information
| ChEMBL ID | CHEMBL1789998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXEUFPDBSZGCJU-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1314130 |
| Active Moiety | CHEMBL1314130 |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
354.6
MW (Da)
5.87
ALogP
0
HBA
0
HBD
7.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.26
IC50 2 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.26 | 5.725 | 55.0 | 2 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.78 | 5.78 | 1675.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.56 | 5.5 | 2740.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 55.0 | nM | 7.26 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 1675.0 | nM | 5.78 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Measure Toxicity of... | - |
| Unchecked | IC50 | = | 2740.0 | nM | 5.56 | PUBCHEM_BIOASSAY: HCS for Compounds that Down-Regulate Insulin Promoter Activity... | - |
| Unchecked | IC50 | = | 3650.0 | nM | 5.44 | PUBCHEM_BIOASSAY: HTS Counterscreen for Detection of Compound Cytotoxicity in MI... | - |
| Unchecked | EC50 | = | 64929.0 | nM | 4.19 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
Data from ChEMBL 36 via Core Engine