Compound Detail
CHEMBL1505875
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Basic Information
| ChEMBL ID | CHEMBL1505875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QURGAZDGMITPFZ-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
408.2
MW (Da)
5.05
ALogP
2
HBA
3
HBD
53.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.15
EC50 2 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.71 | 5.71 | 1967.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.33 | 5.33 | 4647.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 5.15 | 5.15 | 7040.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 5.09 | 5.08 | 8130.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 1967.0 | nM | 5.71 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 4647.0 | nM | 5.33 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 7040.0 | nM | 5.15 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 8130.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 8500.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
Data from ChEMBL 36 via Core Engine