Compound Detail
CHEMBL1922081
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Basic Information
| ChEMBL ID | CHEMBL1922081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXAAWUHCDWILQA-UHFFFAOYSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
290.2
MW (Da)
3.52
ALogP
3
HBA
1
HBD
31.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 7.7 | 7.685 | 20.0 | 4 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 7.14 | 7.14 | 72.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 20.0 | nM | 7.7 | Antiprotozoan activity against Giardia intestinalis | 22047694 |
| Giardia intestinalis | IC50 | = | 20.89 | nM | 7.68 | Antimicrobial activity against Giardia intestinalis | - |
| Giardia intestinalis | IC50 | = | 20.89 | nM | 7.68 | Antimicrobial activity against Giardia intestinalis | - |
| Giardia intestinalis | IC50 | = | 20.89 | nM | 7.68 | Antiparasitic activity against trophozoite stage of Giardia intestinalis IMSS:10... | 28595066 |
| Trichomonas vaginalis | IC50 | = | 72.0 | nM | 7.14 | Antiprotozoan activity against Trichomonas vaginalis | 22047694 |
| Trichomonas vaginalis | IC50 | = | 72.44 | nM | 7.14 | Antimicrobial activity against Trichomonas vaginalis | - |
| Trichomonas vaginalis | IC50 | = | 72.44 | nM | 7.14 | Antimicrobial activity against Trichomonas vaginalis | - |
| Trichomonas vaginalis | IC50 | = | 72.44 | nM | 7.14 | 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 |
| 22047694 | 10.1016/j.bmcl.2011.10.028 | Trichomonas vaginalis | 1 |
| 22047694 | 10.1016/j.bmcl.2011.10.028 | Giardia intestinalis | 1 |
| 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