Compound Detail
CHEMBL1471157
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Basic Information
| ChEMBL ID | CHEMBL1471157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYVZDLOWVOPYTP-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.12
ALogP
3
HBA
2
HBD
72.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.7
IC50 1 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.7 | 5.7 | 2011.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.6 | 4.6 | 25087.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 4.42 | 4.42 | 38300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 2011.0 | nM | 5.7 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 25087.0 | nM | 4.6 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 38300.0 | nM | 4.42 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24313730 | 10.1021/jm401560v | PA/PB1 | 1 |
| 24313730 | 10.1021/jm401560v | Influenza A virus | 1 |
| 24313730 | 10.1021/jm401560v | MDCK | 1 |
| 24313730 | 10.1021/jm401560v | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine