Compound Detail
CHEMBL4869083
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Basic Information
| ChEMBL ID | CHEMBL4869083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKDYUQFAHFHOIZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
2.43
ALogP
3
HBA
1
HBD
73.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cruzipain CHEMBL3563 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cruzipain | Ki | = | 2511.89 | nM | 5.6 | Inhibition of Trypanosoma cruzi cruzain using Z-FR-AMC as substrate by fluoresce... | 33991733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33991733 | 10.1016/j.bmc.2021.116211 | Cruzipain | 1 |
| 33991733 | 10.1016/j.bmc.2021.116211 | Procathepsin L | 1 |
| 33991733 | 10.1016/j.bmc.2021.116211 | Cathepsin B | 1 |
| 33991733 | 10.1016/j.bmc.2021.116211 | Cathepsin K | 1 |
| 33991733 | 10.1016/j.bmc.2021.116211 | Cathepsin S | 1 |
Data from ChEMBL 36 via Core Engine