Compound Detail
CHEMBL1303524
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Basic Information
| ChEMBL ID | CHEMBL1303524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJNRSWQTQVNSFP-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
5.95
ALogP
6
HBA
2
HBD
66.9
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.09
IC50 1 meas. best 4.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.09 | 6.09 | 804.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.97 | 4.97 | 10673.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.27 | 4.27 | 53916.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 804.0 | nM | 6.09 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 10673.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
| Unchecked | IC50 | = | 53916.0 | nM | 4.27 | PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... | - |
Data from ChEMBL 36 via Core Engine