Compound Detail
CHEMBL1606097
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Basic Information
| ChEMBL ID | CHEMBL1606097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKSHHRQYBVRBSC-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
369.9
MW (Da)
3.24
ALogP
4
HBA
3
HBD
70.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.44
IC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.44 | 6.44 | 360.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.87 | 5.73 | 1355.0 | 2 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.51 | 5.51 | 3059.0 | 1 |
| Large ribosomal subunit protein eL19A CHEMBL1741172 | EC50 | 4.91 | 4.91 | 12290.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.62 | 4.62 | 23820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 360.0 | nM | 6.44 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 1355.0 | nM | 5.87 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Unchecked | EC50 | = | 2541.0 | nM | 5.59 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
| Heat shock factor protein 1 | EC50 | = | 3059.0 | nM | 5.51 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Large ribosomal subunit protein eL19A | EC50 | = | 12290.0 | nM | 4.91 | PUBCHEM_BIOASSAY: Dose Response of TOR pathway GFP-fusion proteins in Saccharomy... | - |
| Unchecked | IC50 | = | 23820.0 | nM | 4.62 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
Data from ChEMBL 36 via Core Engine