Compound Detail
CHEMBL4554009
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Basic Information
| ChEMBL ID | CHEMBL4554009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRLMMQDYBOVLLP-HNNXBMFYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
0.47
ALogP
5
HBA
2
HBD
101.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 5.44 | 5.44 | 3610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteine protease ATG4B | IC50 | = | 3610.0 | nM | 5.44 | Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincub... | 27563406 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27563406 | 10.1021/acsmedchemlett.6b00208 | Cysteine protease ATG4B | 2 |
| 27563406 | 10.1021/acsmedchemlett.6b00208 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine