Compound Detail
CHEMBL1528330
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Basic Information
| ChEMBL ID | CHEMBL1528330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVMPOFYMBAYDCM-STZFKDTASA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
428.4
MW (Da)
2.55
ALogP
6
HBA
2
HBD
100.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.12
IC50 2 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.12 | 6.12 | 765.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.88 | 4.8533 | 1317.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 5.51 | 5.51 | 3066.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.79 | 4.79 | 16247.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 765.0 | nM | 6.12 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 1317.0 | nM | 5.88 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Unchecked | IC50 | = | 3066.0 | nM | 5.51 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| No relevant target | IC50 | = | 16247.0 | nM | 4.79 | PubChem BioAssay. Counterscreen for molecules that bind rCAG RNA repeats: fluore... | - |
| Unchecked | EC50 | = | 27430.0 | nM | 4.56 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
| Unchecked | EC50 | = | 75384.0 | nM | 4.12 | PUBCHEM_BIOASSAY: Screen for small molecule probes relevant to Friedreichs ataxi... | - |
Data from ChEMBL 36 via Core Engine