Compound Detail
CHEMBL1223561
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Basic Information
| ChEMBL ID | CHEMBL1223561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHRICLUCOXRHHO-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
385.8
MW (Da)
4.03
ALogP
5
HBA
3
HBD
109.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 5.76 | 5.76 | 1748.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 4.98 | 4.98 | 10563.0 | 1 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 4.92 | 4.92 | 12026.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Leishmania mexicana CHEMBL612880 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 1748.0 | nM | 5.76 | Antimicrobial activity against Giardia intestinalis IMSS:0696:1 after 48 hrs | 20674375 |
| Entamoeba histolytica | IC50 | = | 10563.0 | nM | 4.98 | Antimicrobial activity against Entamoeba histolytica HM-1:IMSS after 48 hrs | 20674375 |
| Trichomonas vaginalis | IC50 | = | 12026.0 | nM | 4.92 | Antimicrobial activity against Trichomonas vaginalis GT3 after 48 hrs | 20674375 |
| Leishmania mexicana | IC50 | = | 50000.0 | nM | 4.3 | Antimicrobial activity against promastigotes form of Leishmania mexicana MHOM/MX... | 20674375 |
| Trypanosoma cruzi | IC50 | = | 50000.0 | nM | 4.3 | Antimicrobial activity against epimastigotes form of Trypanosoma cruzi MHOM/MX/1... | 20674375 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20674375 | 10.1016/j.bmc.2010.07.008 | Giardia intestinalis | 1 |
| 20674375 | 10.1016/j.bmc.2010.07.008 | Trichomonas vaginalis | 1 |
| 20674375 | 10.1016/j.bmc.2010.07.008 | Entamoeba histolytica | 1 |
| 20674375 | 10.1016/j.bmc.2010.07.008 | Leishmania mexicana | 1 |
| 20674375 | 10.1016/j.bmc.2010.07.008 | Trypanosoma cruzi | 1 |
| 20674375 | 10.1016/j.bmc.2010.07.008 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine