Compound Detail
CHEMBL3196241
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Basic Information
| ChEMBL ID | CHEMBL3196241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDPAIMDQTHEXQA-OEAKJJBVSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
3.34
ALogP
6
HBA
0
HBD
56.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.42 | 6.1133 | 382.0 | 3 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.2 | 6.2 | 630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 382.0 | nM | 6.42 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Unchecked | EC50 | = | 596.0 | nM | 6.22 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 630.0 | nM | 6.2 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 1983.0 | nM | 5.7 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
Data from ChEMBL 36 via Core Engine