Compound Detail
CHEMBL228199
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 | CHEMBL228199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKSDCMMCSWXZLS-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
265.0
MW (Da)
3.34
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 6.19 | 6.19 | 645.6 | 3 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 5.88 | 5.88 | 1318.3 | 2 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 5.8 | 5.8 | 1584.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 645.65 | nM | 6.19 | Antimicrobial activity against Giardia intestinalis | - |
| Giardia intestinalis | IC50 | = | 645.65 | nM | 6.19 | Antimicrobial activity against Giardia intestinalis | - |
| Giardia intestinalis | IC50 | = | 645.65 | nM | 6.19 | Antiparasitic activity against trophozoite stage of Giardia intestinalis IMSS:10... | 28595066 |
| Entamoeba histolytica | IC50 | = | 1318.26 | nM | 5.88 | Antiamnesic activity against Entamoeba histolytica | 17074492 |
| Entamoeba histolytica | IC50 | = | 1318.26 | nM | 5.88 | Antiparasitic activity against trophozoite stage of Entamoeba histolytica HM-1:I... | 28595066 |
| Trichomonas vaginalis | IC50 | = | 1584.89 | nM | 5.8 | Antimicrobial activity against Trichomonas vaginalis | - |
| Trichomonas vaginalis | IC50 | = | 1584.89 | nM | 5.8 | Antimicrobial activity against Trichomonas vaginalis | - |
| Trichomonas vaginalis | IC50 | = | 1584.89 | nM | 5.8 | 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 |
| 17074492 | 10.1016/j.bmc.2006.10.019 | Entamoeba histolytica | 1 |
| 28595066 | 10.1016/j.ejmech.2017.05.058 | Giardia intestinalis | 1 |
| 28595066 | 10.1016/j.ejmech.2017.05.058 | Entamoeba histolytica | 1 |
| 28595066 | 10.1016/j.ejmech.2017.05.058 | Trichomonas vaginalis | 1 |
Data from ChEMBL 36 via Core Engine