Compound Detail
CHEMBL1586201
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Basic Information
| ChEMBL ID | CHEMBL1586201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWPWIJWFEGZWME-XYOKQWHBSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
3.34
ALogP
4
HBA
2
HBD
81.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.85
IC50 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.85 | 5.075 | 1409.0 | 2 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.83 | 5.83 | 1493.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 58.03 | nM | 7.24 | Antiviral activity against X4 tropic HIV-1 clone pNL4-3 infected in H9 cells ass... | 25847768 |
| Unchecked | EC50 | = | 1409.0 | nM | 5.85 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 1493.0 | nM | 5.83 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 49937.0 | nM | 4.3 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25847768 | 10.1016/j.ejmech.2015.03.050 | Mus musculus | 10 |
| 25847768 | 10.1016/j.ejmech.2015.03.050 | Unchecked | 8 |
| 25847768 | 10.1016/j.ejmech.2015.03.050 | Human immunodeficiency virus 1 | 3 |
| 25847768 | 10.1016/j.ejmech.2015.03.050 | H9 | 1 |
Data from ChEMBL 36 via Core Engine