Compound Detail
CHEMBL1496397
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1496397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNTFWVDUNXYYJT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
466.6
MW (Da)
5.43
ALogP
6
HBA
1
HBD
75.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2 CHEMBL4426 | IC50 | 6.74 | 6.74 | 182.0 | 1 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 6.5 | 6.5 | 316.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2 | IC50 | = | 182.0 | nM | 6.74 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors ... | - |
| Cysteine protease ATG4B | IC50 | = | 316.0 | nM | 6.5 | PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for i... | - |
| Cysteine protease ATG4B | IC50 | = | 316.0 | nM | 6.5 | Inhibition of wild type recombinant Atg4B (unknown origin) expressed in Escheric... | 27517808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27517808 | 10.1016/j.ejmech.2016.07.073 | Cysteine protease ATG4B | 3 |
Data from ChEMBL 36 via Core Engine