Compound Detail
CHEMBL5218486
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Basic Information
| ChEMBL ID | CHEMBL5218486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZUCZYXRADUTMW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
3.91
ALogP
4
HBA
1
HBD
62.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 5.49 | 5.49 | 3240.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteine protease ATG4B | IC50 | = | 3240.0 | nM | 5.49 | Inhibition of ATG4B (unknown origin) by FRET assay | 33077263 |
| Cysteine protease ATG4B | IC50 | = | 3240.0 | nM | 5.49 | Inhibition of ATG4B (unknown origin) using pim-FG-PABA-AMC as substrate by fluor... | 38295689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33077263 | 10.1016/j.ejmech.2020.112917 | Cysteine protease ATG4B | 1 |
| 38295689 | 10.1016/j.ejmech.2023.116117 | Cysteine protease ATG4B | 1 |
Data from ChEMBL 36 via Core Engine