Compound Detail
CHEMBL1269197
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 | CHEMBL1269197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OILQFMYYWUZWHM-UHFFFAOYSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
4.09
ALogP
3
HBA
0
HBD
17.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trichomonas vaginalis CHEMBL612884 | IC50 | 6.7 | 6.7 | 199.5 | 4 |
| Giardia intestinalis CHEMBL612652 | IC50 | 4.98 | 4.98 | 10450.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trichomonas vaginalis | IC50 | = | 199.53 | nM | 6.7 | Antiprotozoal activity against Trichomonas vaginalis | 20888242 |
| Trichomonas vaginalis | IC50 | = | 199.53 | nM | 6.7 | Antimicrobial activity against Trichomonas vaginalis | - |
| Trichomonas vaginalis | IC50 | = | 200.0 | nM | 6.7 | Antimicrobial activity against Trichomonas vaginalis | - |
| Trichomonas vaginalis | IC50 | = | 199.53 | nM | 6.7 | Antiparasitic activity against trophozoite stage of Trichomonas vaginalis GT3 af... | 28595066 |
| Giardia intestinalis | IC50 | = | 10471.29 | nM | 4.98 | Antiprotozoal activity against Giardia intestinalis | 20888242 |
| Giardia intestinalis | IC50 | = | 10471.29 | nM | 4.98 | Antimicrobial activity against Giardia intestinalis | - |
| Giardia intestinalis | IC50 | = | 10450.0 | nM | 4.98 | Antimicrobial activity against Giardia intestinalis | - |
| Giardia intestinalis | IC50 | = | 10471.29 | nM | 4.98 | Antiparasitic activity against trophozoite stage of Giardia intestinalis IMSS:09... | 28595066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C0MD00159G | Trichomonas vaginalis | 2 |
| - | 10.1039/C0MD00159G | Giardia intestinalis | 2 |
| 20888242 | 10.1016/j.bmc.2010.09.019 | Trichomonas vaginalis | 1 |
| 20888242 | 10.1016/j.bmc.2010.09.019 | 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