Compound Detail
CHEMBL3220963
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 | CHEMBL3220963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BECDASDIEKOHCW-UHFFFAOYSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
393.1
MW (Da)
4.13
ALogP
3
HBA
1
HBD
31.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trichomonas vaginalis CHEMBL612884 | IC50 | 7.99 | 7.9825 | 10.2 | 4 |
| Giardia intestinalis CHEMBL612652 | IC50 | 7.7 | 7.6925 | 20.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trichomonas vaginalis | IC50 | = | 10.23 | nM | 7.99 | Antimicrobial activity against Trichomonas vaginalis | - |
| Trichomonas vaginalis | IC50 | = | 10.23 | nM | 7.99 | Antimicrobial activity against Trichomonas vaginalis | - |
| Trichomonas vaginalis | IC50 | = | 10.23 | nM | 7.99 | Antiparasitic activity against trophozoite stage of Trichomonas vaginalis GT3 af... | 28595066 |
| Trichomonas vaginalis | IC50 | = | 11.0 | nM | 7.96 | Antimicrobial activity against Trichomonas vaginalis | - |
| Giardia intestinalis | IC50 | = | 20.0 | nM | 7.7 | Antimicrobial activity against Giardia intestinalis | - |
| Giardia intestinalis | IC50 | = | 20.42 | nM | 7.69 | Antimicrobial activity against Giardia intestinalis | - |
| Giardia intestinalis | IC50 | = | 20.42 | nM | 7.69 | Antimicrobial activity against Giardia intestinalis | - |
| Giardia intestinalis | IC50 | = | 20.42 | nM | 7.69 | Antiparasitic activity against trophozoite stage of Giardia intestinalis IMSS:10... | 28595066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C0MD00159G | Trichomonas vaginalis | 3 |
| - | 10.1039/C0MD00159G | Giardia intestinalis | 3 |
| 28595066 | 10.1016/j.ejmech.2017.05.058 | Giardia intestinalis | 1 |
| 28595066 | 10.1016/j.ejmech.2017.05.058 | Trichomonas vaginalis | 1 |
Data from ChEMBL 36 via Core Engine