Compound Detail
CHEMBL5572589
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Basic Information
| ChEMBL ID | CHEMBL5572589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZLXTXBSZLUAEU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
451.4
MW (Da)
2.06
ALogP
7
HBA
3
HBD
147.7
PSA (Ų)
0.24
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Caspase-1 CHEMBL4801 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Caspase-1 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of Interleukin-1beta-converting enzyme (unknown origin) | 37857145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37857145 | 10.1016/j.ejmech.2023.115861 | Caspase-1 | 1 |
Data from ChEMBL 36 via Core Engine