Compound Detail
CHEMBL4572200
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Basic Information
| ChEMBL ID | CHEMBL4572200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRHGYABXBVODEX-SFHVURJKSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
2.18
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 5.95 | 5.905 | 1130.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteine protease ATG4B | IC50 | = | 1130.0 | nM | 5.95 | Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincub... | 27563406 |
| Cysteine protease ATG4B | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of full length N-terminal His6-tagged ATG4B (unknown origin) expresse... | 27563406 |
| Cysteine protease ATG4B | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of ATG4B (unknown origin) | 33077263 |
| Cysteine protease ATG4B | IC50 | = | 1470.0 | nM | 5.83 | Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTR... | 27563406 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27563406 | 10.1021/acsmedchemlett.6b00208 | Cysteine protease ATG4B | 3 |
| 27563406 | 10.1021/acsmedchemlett.6b00208 | HEK-293T | 1 |
| 33077263 | 10.1016/j.ejmech.2020.112917 | Cysteine protease ATG4B | 1 |
Data from ChEMBL 36 via Core Engine