Compound Detail
CHEMBL4212454
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4212454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWGYOEFAMBIJPC-INIZCTEOSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
1.84
ALogP
6
HBA
1
HBD
94.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | Ki | 9.9 | 9.9 | 0.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| Cruzipain CHEMBL3563 | Ki | 8.8 | 8.8 | 1.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | Ki | = | 0.1259 | nM | 9.9 | Inhibition of human cathepsin L using Z-Phe-Arg-7-amido-4-methylcoumarin as subs... | 33038787 |
| Unchecked | Ki | = | 0.1995 | nM | 9.7 | Inhibition of Leishmania mexicana CPB delta CTE mutant using Z-Phe-Arg-7-amido-4... | 33038787 |
| Cruzipain | Ki | = | 1.585 | nM | 8.8 | Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-7-amido-4-me... | 29054358 |
| Cruzipain | Ki | = | 1.585 | nM | 8.8 | Inhibition of recombinant Trypanosoma cruzi cruzain using Z-Phe-Arg-7-amido-4-me... | 33038787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29054358 | 10.1016/j.bmcl.2017.10.002 | Cruzipain | 4 |
| 33038787 | 10.1016/j.bmc.2020.115743 | Unchecked | 3 |
| 33038787 | 10.1016/j.bmc.2020.115743 | Procathepsin L | 3 |
| 33038787 | 10.1016/j.bmc.2020.115743 | Cruzipain | 3 |
Data from ChEMBL 36 via Core Engine