Compound Detail
CHEMBL4758264
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 | CHEMBL4758264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUZJLPCTMOILMG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
345.8
MW (Da)
4.42
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.25 | 6.07 | 560.0 | 2 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1590.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 560.0 | nM | 6.25 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen CL2 amastigotes exp... | 36459758 |
| Trypanosoma brucei brucei | IC50 | = | 900.0 | nM | 6.05 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 infected ... | 33479668 |
| Trypanosoma cruzi | IC50 | = | 1300.0 | nM | 5.89 | Antitrypanosomal activity against Trypanosoma cruzi infected in rat H9c2 infecte... | 33479668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36459758 | 10.1016/j.ejmech.2022.114925 | ADMET | 2 |
| 33479668 | 10.1039/d0md00058b | HEK293 | 1 |
| 33479668 | 10.1039/d0md00058b | Trypanosoma cruzi | 1 |
| 33479668 | 10.1039/d0md00058b | Trypanosoma brucei brucei | 1 |
| 33479668 | 10.1039/d0md00058b | H9c2 | 1 |
| 33479668 | 10.1039/d0md00058b | HepG2 | 1 |
| 33479668 | 10.1039/d0md00058b | No relevant target | 1 |
| 36459758 | 10.1016/j.ejmech.2022.114925 | No relevant target | 1 |
| 36459758 | 10.1016/j.ejmech.2022.114925 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine