Compound Detail
CHEMBL457954
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 | CHEMBL457954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSFVLOYGGIZOKH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
243.1
MW (Da)
3.08
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 7.46 | 7.46 | 34.9 | 1 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 7.2 | 7.2 | 63.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 34.9 | nM | 7.46 | Antiprotozoal activity against Giardia intestinalis IMSS:0981:1 trophozoites aft... | 19186059 |
| Trichomonas vaginalis | IC50 | = | 63.7 | nM | 7.2 | Antiprotozoal activity against Trichomonas vaginalis GT3 trophozoites after 48 h... | 19186059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19186059 | 10.1016/j.bmc.2008.12.059 | Giardia intestinalis | 1 |
| 19186059 | 10.1016/j.bmc.2008.12.059 | Trichomonas vaginalis | 1 |
Data from ChEMBL 36 via Core Engine