Compound Detail
CHEMBL1084849
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
C=CS(=O)(=O)C1=C[C@@H](OC)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1084849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPQLFHMBMXACAQ-RSXGOPAZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
4.81
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba invadens CHEMBL1075346 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 4.42 | 4.42 | 37860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba invadens | IC50 | = | 25000.0 | nM | 4.6 | Antiprotozoal activity against Entamoeba invadens after 24 hrs by trypan blue as... | 20478706 |
| Entamoeba histolytica | IC50 | = | 37860.0 | nM | 4.42 | Antiprotozoal activity against Entamoeba histolytica after 24 hrs by trypan blue... | 20478706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20478706 | 10.1016/j.bmcl.2010.04.056 | Entamoeba histolytica | 1 |
| 20478706 | 10.1016/j.bmcl.2010.04.056 | Entamoeba invadens | 1 |
Data from ChEMBL 36 via Core Engine