Compound Detail
CHEMBL4216112
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Basic Information
| ChEMBL ID | CHEMBL4216112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPHSSHKGLBXFFM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
353.2
MW (Da)
4.24
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Entamoeba histolytica CHEMBL612853 | IC50 | 7.43 | 7.43 | 36.9 | 1 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 6.89 | 6.89 | 127.8 | 1 |
| Giardia intestinalis CHEMBL612652 | IC50 | 6.34 | 6.34 | 454.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Entamoeba histolytica | IC50 | = | 36.9 | nM | 7.43 | Antiparasitic activity against trophozoite stage of Entamoeba histolytica HM-1:I... | 28595066 |
| Trichomonas vaginalis | IC50 | = | 127.8 | nM | 6.89 | Antiparasitic activity against trophozoite stage of Trichomonas vaginalis CNCD 1... | 28595066 |
| Giardia intestinalis | IC50 | = | 454.5 | nM | 6.34 | Antiparasitic activity against trophozoite stage of Giardia intestinalis IMSS:09... | 28595066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28595066 | 10.1016/j.ejmech.2017.05.058 | Giardia intestinalis | 1 |
| 28595066 | 10.1016/j.ejmech.2017.05.058 | Trichomonas vaginalis | 1 |
| 28595066 | 10.1016/j.ejmech.2017.05.058 | Entamoeba histolytica | 1 |
Data from ChEMBL 36 via Core Engine