Compound Detail
CHEMBL108035
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 | CHEMBL108035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEMPMQMUBMCYOI-GZTJUZNOSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
3.32
ALogP
2
HBA
2
HBD
50.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rhodesain CHEMBL4188 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Cruzipain CHEMBL3563 | IC50 | 5.1 | 5.1 | 7998.3 | 4 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rhodesain | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of rhodesain from Trypanosoma brucei rhodesiense | 15163200 |
| Unchecked | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of Trypanosoma brucei rhodesain | 23611656 |
| Cruzipain | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of cruzain from Trypanosoma cruzi | 15163200 |
| Cruzipain | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of recombinant Trypanosoma cruzi Cruzipain using Z-Phe-Arg-AMC as sub... | 37054562 |
| Cruzipain | IC50 | = | 7998.34 | nM | 5.1 | Inhibition of recombinant Trypanosoma cruzi Cruzipain using Z-Phe-Arg-AMC as sub... | 37054562 |
| Cruzipain | IC50 | = | 7998.34 | nM | 5.1 | Inhibition of recombinant Trypanosoma cruzi Cruzipain using Z-FR-AMC as substrat... | 37054562 |
| Trypanosoma brucei | IC50 | = | 12000.0 | nM | 4.92 | Antitrypanosomal activity against Trypanosoma brucei | 23611656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37054562 | 10.1016/j.ejmech.2023.115345 | Cruzipain | 3 |
| 15163200 | 10.1021/jm030549j | Cruzipain | 1 |
| 15163200 | 10.1021/jm030549j | NON-PROTEIN TARGET | 1 |
| 15163200 | 10.1021/jm030549j | Rhodesain | 1 |
| 15163200 | 10.1021/jm030549j | Trypanosoma brucei rhodesiense | 1 |
| 23611656 | 10.1021/jm301424d | Trypanosoma brucei | 1 |
| 23611656 | 10.1021/jm301424d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine