Compound Detail
CHEMBL1190214
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Basic Information
| ChEMBL ID | CHEMBL1190214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKCSZKQZGVWLRM-WCWDXBQESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
4.73
ALogP
4
HBA
4
HBD
110.6
PSA (Ų)
0.25
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 5.25 | 5.25 | 5610.0 | 1 |
| Troponin, cardiac muscle CHEMBL2095202 | IC50 | 5.07 | 5.07 | 8598.0 | 1 |
| Phospholipase A2 CHEMBL4426 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteine protease ATG4B | IC50 | = | 5610.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for i... | - |
| Troponin, cardiac muscle | IC50 | = | 8598.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Phospholipase A2 | IC50 | = | 9600.0 | nM | 5.02 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors ... | - |
Data from ChEMBL 36 via Core Engine