Compound Detail
CHEMBL4204523
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Basic Information
| ChEMBL ID | CHEMBL4204523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJAMYIMDDMCOHO-PCLFDXGNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
2.76
ALogP
5
HBA
2
HBD
93.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cruzipain CHEMBL3563 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cruzipain | Ki | = | 1584.89 | nM | 5.8 | Inhibition of recombinant Trypanosoma cruzi cruzain using Z-phe-Arg-7-amido-4-me... | 29054358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29054358 | 10.1016/j.bmcl.2017.10.002 | Cruzipain | 4 |
| 27563406 | 10.1021/acsmedchemlett.6b00208 | Cysteine protease ATG4B | 2 |
| 27563406 | 10.1021/acsmedchemlett.6b00208 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine