Compound Detail
CHEMBL4559082
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Basic Information
| ChEMBL ID | CHEMBL4559082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHENTWJNXGESKT-RMKNXTFCSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
520.1
MW (Da)
8.24
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.20
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 4.61 | 4.5567 | 24500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteine protease ATG4B | IC50 | = | 24500.0 | nM | 4.61 | Inhibition of ATG4B (unknown origin) using pim-FG-PABA-AMC as substrate preincub... | 31226656 |
| Cysteine protease ATG4B | IC50 | = | 24500.0 | nM | 4.61 | Inhibition of ATG4B (unknown origin) using pim-FG-PABA-AMC as substrate incubate... | 33077263 |
| Cysteine protease ATG4B | IC50 | = | 35500.0 | nM | 4.45 | Inhibition of ATG4B (unknown origin) using pim-FG-PABA-AMC as substrate by fluor... | 38295689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31226656 | 10.1016/j.ejmech.2019.05.086 | Cysteine protease ATG4B | 1 |
| 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