Compound Detail
CHEMBL1489113
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Basic Information
| ChEMBL ID | CHEMBL1489113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWHJVIQZUFQZJS-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
4.92
ALogP
4
HBA
2
HBD
51.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.7
IC50 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.7 | 5.7 | 2002.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.68 | 5.0775 | 2077.0 | 4 |
| Unchecked CHEMBL612545 | IC50 | 4.8 | 4.8 | 15864.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.59 | 4.59 | 25800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 2002.0 | nM | 5.7 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 2077.0 | nM | 5.68 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Unchecked | EC50 | = | 8470.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
| Unchecked | EC50 | = | 15922.0 | nM | 4.8 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | IC50 | = | 15864.0 | nM | 4.8 | PUBCHEM_BIOASSAY: Counterscreen for IDE inhibitors: Luminescence-based cell-base... | - |
| Unchecked | EC50 | = | 17365.0 | nM | 4.76 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| NON-PROTEIN TARGET | IC50 | = | 25800.0 | nM | 4.59 | Antiviral activity against Influenza A virus (A/California/07/09(H1N1))pdm09 inf... | 27670100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27670100 | 10.1016/j.bmc.2016.09.036 | NON-PROTEIN TARGET | 2 |
| 27670100 | 10.1016/j.bmc.2016.09.036 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine