Compound Detail
CHEMBL3191531
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Basic Information
| ChEMBL ID | CHEMBL3191531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBJQLFAMDJRZTD-DNTJNYDQSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
372.8
MW (Da)
2.92
ALogP
6
HBA
2
HBD
101.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 5.47 | 5.47 | 3350.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 5.36 | 5.36 | 4340.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 5.18 | 5.18 | 6590.0 | 1 |
| Phospholipase A2 CHEMBL4426 | IC50 | 4.79 | 4.79 | 16200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteine protease ATG4B | IC50 | = | 3350.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for i... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 4340.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 6590.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Phospholipase A2 | IC50 | = | 16200.0 | nM | 4.79 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors ... | - |
Data from ChEMBL 36 via Core Engine