Compound Detail
CHEMBL71855
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 | CHEMBL71855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMOBNOCVMZFPEN-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
201.1
MW (Da)
3.18
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba histolytica CHEMBL612853 | IC50 | 7.6 | 7.6 | 25.0 | 2 |
| Giardia intestinalis CHEMBL612652 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| Cytochrome P450 2B1 CHEMBL3335 | IC50 | 4.09 | 4.09 | 81283.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba histolytica | IC50 | = | 25.0 | nM | 7.6 | The compound was tested in vitro against the protozoa Entamoeba histolytica, for... | 12127542 |
| Entamoeba histolytica | IC50 | = | 25.12 | nM | 7.6 | Antiamnesic activity against Entamoeba histolytica | 17074492 |
| Giardia intestinalis | IC50 | = | 65.0 | nM | 7.19 | The compound was tested in vitro against the protozoa Giardia lamblia, for the i... | 12127542 |
| Cytochrome P450 2B1 | IC50 | = | 81283.05 | nM | 4.09 | Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic micro... | 7120277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7120277 | 10.1021/jm00350a002 | Cytochrome P450 2B1 | 1 |
| 7120277 | 10.1021/jm00350a002 | No relevant target | 1 |
| 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 |
| 22225635 | 10.1016/j.bmcl.2011.12.088 | HCT-116 | 1 |
| 22225635 | 10.1016/j.bmcl.2011.12.088 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine