Compound Detail
CHEMBL4453153
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Basic Information
| ChEMBL ID | CHEMBL4453153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANVGHHAQPVUPDT-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
342.3
MW (Da)
1.63
ALogP
8
HBA
0
HBD
108.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.1 | 6.085 | 794.3 | 2 |
| Giardia intestinalis CHEMBL612652 | IC50 | 5.0 | 4.98 | 10000.0 | 2 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 4.5 | 4.485 | 31622.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 794.33 | nM | 6.1 | Antiparasitic activity against bloodstream form of Trypanosoma brucei brucei str... | 30468386 |
| Trypanosoma brucei brucei | IC50 | = | 860.0 | nM | 6.07 | Antiparasitic activity against bloodstream form of Trypanosoma brucei brucei str... | 30468386 |
| Giardia intestinalis | IC50 | = | 10000.0 | nM | 5.0 | Antiparasitic activity against Giardia lamblia WB trophozoites after 24 to 48 hr... | 30468386 |
| Giardia intestinalis | IC50 | = | 11000.0 | nM | 4.96 | Antiparasitic activity against Giardia lamblia WB trophozoites after 24 to 48 hr... | 30468386 |
| Entamoeba histolytica | IC50 | = | 31622.78 | nM | 4.5 | Antiparasitic activity against Entamoeba histolytica HM-1:IMSS trophozoites afte... | 30468386 |
| Entamoeba histolytica | IC50 | = | 34000.0 | nM | 4.47 | Antiparasitic activity against Entamoeba histolytica HM-1:IMSS trophozoites afte... | 30468386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30468386 | 10.1021/acs.jmedchem.8b01578 | No relevant target | 4 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Giardia intestinalis | 2 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Entamoeba histolytica | 2 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Mycobacterium tuberculosis | 2 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Trypanosoma brucei brucei | 2 |
| - | 10.6019/CHEMBL4513134 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513134 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513134 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513134 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513134 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine