Compound Detail
CHEMBL256127
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
COc1cc(-c2nc3cc(C)ccc3[nH]2)ccc1OCCCCCOc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL256127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCZOTZAVELCVRT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
576.7
MW (Da)
8.04
ALogP
6
HBA
2
HBD
94.3
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 6.43 | 6.43 | 372.0 | 1 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 5.99 | 5.99 | 1017.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 5.35 | 5.35 | 4503.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 372.0 | nM | 6.43 | Antiprotozoal activity against Giardia lamblia | 18486471 |
| Trichomonas vaginalis | IC50 | = | 1017.0 | nM | 5.99 | Antiprotozoal activity against Trichomonas vaginalis | 18486471 |
| Entamoeba histolytica | IC50 | = | 4503.0 | nM | 5.35 | Antiprotozoal activity against Entamoeba histolytica | 18486471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18486471 | 10.1016/j.bmcl.2008.05.009 | Trichomonas vaginalis | 1 |
| 18486471 | 10.1016/j.bmcl.2008.05.009 | Giardia intestinalis | 1 |
| 18486471 | 10.1016/j.bmcl.2008.05.009 | Entamoeba histolytica | 1 |
| 18486471 | 10.1016/j.bmcl.2008.05.009 | Leishmania mexicana | 1 |
| 18486471 | 10.1016/j.bmcl.2008.05.009 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine