Compound Detail
CHEMBL1790008
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Cc1c(Nc2scc(-c3ccccc3)[n+]2-c2ccccc2)c(=O)n(-c2ccccc2)n1C.[Br-]
Basic Information
| ChEMBL ID | CHEMBL1790008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIMYJBPXXPSQAY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1622916 |
| Active Moiety | CHEMBL1622916 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
5.23
ALogP
5
HBA
1
HBD
42.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.96 | 5.855 | 111.0 | 2 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.65 | 6.65 | 225.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 111.0 | nM | 6.96 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 225.0 | nM | 6.65 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 17976.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
Data from ChEMBL 36 via Core Engine