Compound Detail
CHEMBL1484777
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Basic Information
| ChEMBL ID | CHEMBL1484777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYYQAILVCFGHGN-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
388.2
MW (Da)
5.17
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.67
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.93
IC50 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.93 | 6.93 | 117.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.2 | 6.2 | 625.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.76 | 5.3 | 1744.0 | 2 |
| Serine/threonine-protein phosphatase CHEMBL1293271 | EC50 | 5.33 | 5.21 | 4663.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 117.0 | nM | 6.93 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Unchecked | IC50 | = | 625.0 | nM | 6.2 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 1744.0 | nM | 5.76 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Serine/threonine-protein phosphatase | EC50 | = | 4663.0 | nM | 5.33 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Serine/threonine-protein phosphatase | EC50 | = | 8099.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 14547.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Measure Toxicity of... | - |
Data from ChEMBL 36 via Core Engine