Compound Detail
CHEMBL1334557
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Basic Information
| ChEMBL ID | CHEMBL1334557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTDMFCIPBPBFGY-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
366.9
MW (Da)
4.13
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.7
IC50 2 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.7 | 5.0567 | 1987.0 | 3 |
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 5.23 | 5.1 | 5920.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.4 | 4.4 | 39683.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 1987.0 | nM | 5.7 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 5920.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of i... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 10600.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of NALP3 in yeast usi... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 14616.0 | nM | 4.83 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Measure Toxicity of... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 23131.0 | nM | 4.64 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 39683.0 | nM | 4.4 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
Data from ChEMBL 36 via Core Engine