Compound Detail
CHEMBL72355
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 | CHEMBL72355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCKJFOHZLXIAAT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
164.2
MW (Da)
2.28
ALogP
2
HBA
1
HBD
28.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 6.41 | 6.41 | 389.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 45.0 | nM | 7.35 | The compound was tested in vitro against the protozoa Giardia lamblia, for the i... | 12127542 |
| Entamoeba histolytica | IC50 | = | 393.0 | nM | 6.41 | The compound was tested in vitro against the protozoa Entamoeba histolytica, for... | 12127542 |
| Entamoeba histolytica | IC50 | = | 389.05 | nM | 6.41 | Antiamnesic activity against Entamoeba histolytica | 17074492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20921305 | 10.1128/aac.01029-10 | Bacillus anthracis | 2 |
| 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 |
| 20921305 | 10.1128/aac.01029-10 | J774.A1 | 1 |
Data from ChEMBL 36 via Core Engine