Compound Detail
CHEMBL227687
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Basic Information
| ChEMBL ID | CHEMBL227687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMCIMMIDZHZXAQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
212.7
MW (Da)
2.95
ALogP
3
HBA
0
HBD
17.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 6.91 | 6.91 | 122.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 6.24 | 6.24 | 575.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 122.0 | nM | 6.91 | Antiparasitic activity against Giardia duodenalis IMSS:0989 after 48 hrs | 22464423 |
| Entamoeba histolytica | IC50 | = | 575.44 | nM | 6.24 | Antiamnesic activity against Entamoeba histolytica | 17074492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22464423 | 10.1016/j.ejmech.2012.03.014 | No relevant target | 4 |
| 22464423 | 10.1016/j.ejmech.2012.03.014 | Caco-2 | 4 |
| 17074492 | 10.1016/j.bmc.2006.10.019 | Entamoeba histolytica | 1 |
| 22464423 | 10.1016/j.ejmech.2012.03.014 | Giardia intestinalis | 1 |
Data from ChEMBL 36 via Core Engine