Compound Detail
CHEMBL1379347
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Basic Information
| ChEMBL ID | CHEMBL1379347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUEHZFLPFAUAEI-WJDWOHSUSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
3.72
ALogP
6
HBA
1
HBD
54.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.61
EC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | EC50 | 5.66 | 5.66 | 2170.0 | 1 |
| Phospholipase A2 CHEMBL4426 | IC50 | 5.61 | 5.61 | 2470.0 | 1 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 5.37 | 5.37 | 4240.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.37 | 5.13 | 4263.0 | 3 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | EC50 | 4.79 | 4.79 | 16200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 2170.0 | nM | 5.66 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Phospholipase A2 | IC50 | = | 2470.0 | nM | 5.61 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors ... | - |
| HEK293 | IC50 | = | 4263.0 | nM | 5.37 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Cysteine protease ATG4B | IC50 | = | 4240.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for i... | - |
| HEK293 | IC50 | = | 4904.0 | nM | 5.31 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| Nucleotide-binding oligomerization domain-containing protein 2 | EC50 | = | 16200.0 | nM | 4.79 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 19515.06 | nM | 4.71 | PUBCHEM_BIOASSAY: uHTS Fluorescence assay for the identification of cytotoxic co... | - |
Data from ChEMBL 36 via Core Engine