Compound Detail
CHEMBL1466593
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Basic Information
| ChEMBL ID | CHEMBL1466593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQAXUFHBWMQUGP-UHFFFAOYSA-N |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
352.3
MW (Da)
0.22
ALogP
8
HBA
1
HBD
122.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.11
IC50 4 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.11 | 5.5367 | 779.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 5.98 | 5.015 | 1058.0 | 2 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.78 | 5.78 | 1665.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.38 | 5.38 | 4217.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 779.0 | nM | 6.11 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Unchecked | IC50 | = | 1058.0 | nM | 5.98 | PUBCHEM_BIOASSAY: Luminescent dose response cell-based high throughput screening... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 1665.0 | nM | 5.78 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 4217.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Luminescent counterscreen for inhibitors of the Janus kinase 2... | - |
| Unchecked | EC50 | = | 5271.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
| Unchecked | EC50 | = | 6050.0 | nM | 5.22 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | IC50 | = | 89190.0 | nM | 4.05 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
Data from ChEMBL 36 via Core Engine