Compound Detail
CHEMBL71936
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 | CHEMBL71936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYJPSJQXODTXBZ-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
198.7
MW (Da)
2.94
ALogP
2
HBA
1
HBD
28.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 8.3 | 8.3 | 5.0 | 2 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 6.72 | 6.72 | 190.6 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.3 | 4.215 | 50382.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 5.0 | nM | 8.3 | The compound was tested in vitro against the protozoa Giardia lamblia, for the i... | 12127542 |
| Giardia intestinalis | IC50 | = | 5.0 | nM | 8.3 | Antigiardial activity against Giardia lamblia IMSS:0989:1 incubated for 48 hrs f... | 32869995 |
| Entamoeba histolytica | IC50 | = | 192.0 | nM | 6.72 | The compound was tested in vitro against the protozoa Entamoeba histolytica, for... | 12127542 |
| Entamoeba histolytica | IC50 | = | 190.55 | nM | 6.72 | Antiamnesic activity against Entamoeba histolytica | 17074492 |
| Unchecked | IC50 | = | 50382.0 | nM | 4.3 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 73640.0 | nM | 4.13 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12127542 | 10.1016/s0960-894x(02)00346-3 | Giardia intestinalis | 1 |
| 12127542 | 10.1016/s0960-894x(02)00346-3 | Entamoeba histolytica | 1 |
| 12127542 | 10.1016/s0960-894x(02)00346-3 | Trichinella spiralis | 1 |
| 17074492 | 10.1016/j.bmc.2006.10.019 | Entamoeba histolytica | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 32869995 | 10.1021/acs.jmedchem.0c00910 | Giardia intestinalis | 1 |
Data from ChEMBL 36 via Core Engine