Compound Detail
CHEMBL3220966
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Basic Information
| ChEMBL ID | CHEMBL3220966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMAQTUNXQFDIDD-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
332.3
MW (Da)
3.29
ALogP
4
HBA
1
HBD
41.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 7.41 | 7.41 | 38.9 | 4 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 7.29 | 7.29 | 51.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 38.9 | nM | 7.41 | Antimicrobial activity against Giardia intestinalis | - |
| Giardia intestinalis | IC50 | = | 38.9 | nM | 7.41 | Antimicrobial activity against Giardia intestinalis | - |
| Giardia intestinalis | IC50 | = | 38.9 | nM | 7.41 | Antiparasitic activity against trophozoite stage of Giardia intestinalis IMSS:10... | 28595066 |
| Giardia intestinalis | IC50 | = | 38.9 | nM | 7.41 | Giardicidal activity against Giardia intestinalis incubated for 48 hrs by hemocy... | 33360795 |
| Trichomonas vaginalis | IC50 | = | 51.29 | nM | 7.29 | Antimicrobial activity against Trichomonas vaginalis | - |
| Trichomonas vaginalis | IC50 | = | 51.29 | nM | 7.29 | Antimicrobial activity against Trichomonas vaginalis | - |
| Trichomonas vaginalis | IC50 | = | 51.29 | nM | 7.29 | Antiparasitic activity against trophozoite stage of Trichomonas vaginalis GT3 af... | 28595066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C0MD00159G | Trichomonas vaginalis | 2 |
| - | 10.1039/C0MD00159G | Giardia intestinalis | 2 |
| 28595066 | 10.1016/j.ejmech.2017.05.058 | Giardia intestinalis | 1 |
| 28595066 | 10.1016/j.ejmech.2017.05.058 | Trichomonas vaginalis | 1 |
| 33360795 | 10.1016/j.ejmech.2020.113110 | Giardia intestinalis | 1 |
Data from ChEMBL 36 via Core Engine