Compound Detail
CHEMBL1541582
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Basic Information
| ChEMBL ID | CHEMBL1541582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWXODYQDROEWCJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
382.2
MW (Da)
2.40
ALogP
4
HBA
3
HBD
96.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.05 | 6.05 | 888.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.64 | 5.64 | 2276.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | EC50 | = | 500.0 | nM | 6.3 | PUBCHEM_BIOASSAY: Confirmation Dose Response screen for compounds that protect h... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 888.0 | nM | 6.05 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 2276.0 | nM | 5.64 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
Data from ChEMBL 36 via Core Engine