Compound Detail
CHEMBL4789329
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 | CHEMBL4789329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGHVVDLYCZTYNZ-IBGZPJMESA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
3.14
ALogP
4
HBA
3
HBD
100.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.65
Ki 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cruzipain CHEMBL3563 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.65 | 4.65 | 22400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cruzipain | Ki | = | 10000.0 | nM | 5.0 | Covalent inhibition of Trypanosoma cruzi cruzipain using Z-Phe-Arg-7-amidomethyl... | 34095840 |
| Trypanosoma cruzi | EC50 | = | 22400.0 | nM | 4.65 | Trypanocidal activity against Trypanosoma cruzi Y intracellular amastigote form ... | 34095840 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34095840 | 10.1039/d0md00097c | Trypanosoma cruzi | 2 |
| 34095840 | 10.1039/d0md00097c | Cruzipain | 1 |
| 34095840 | 10.1039/d0md00097c | LLC-MK2 | 1 |
| 34095840 | 10.1039/d0md00097c | U2OS | 1 |
| 34095840 | 10.1039/d0md00097c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine