Compound Detail
CHEMBL1431710
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Basic Information
| ChEMBL ID | CHEMBL1431710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORGUXMMZOFNOMU-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
4.06
ALogP
3
HBA
3
HBD
66.4
PSA (Ų)
0.28
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.87
IC50 1 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.87 | 6.87 | 134.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.53 | 6.53 | 296.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 4.61 | 4.61 | 24300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 134.0 | nM | 6.87 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 296.0 | nM | 6.53 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 24300.0 | nM | 4.61 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
Data from ChEMBL 36 via Core Engine