Compound Detail
CHEMBL1598347
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Basic Information
| ChEMBL ID | CHEMBL1598347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLJKULLHBGHQDQ-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
407.4
MW (Da)
6.30
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.96
IC50 2 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.96 | 5.96 | 1085.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.41 | 5.09 | 3868.0 | 2 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.86 | 4.72 | 13800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 1085.0 | nM | 5.96 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 3868.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Protein skinhead-1 | IC50 | = | 13800.0 | nM | 4.86 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
| Unchecked | EC50 | = | 16835.0 | nM | 4.77 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
| Protein skinhead-1 | IC50 | = | 26300.0 | nM | 4.58 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
Data from ChEMBL 36 via Core Engine