Compound Detail
CHEMBL4434866
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Basic Information
| ChEMBL ID | CHEMBL4434866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VROKBGPIJGHQJK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
-0.26
ALogP
8
HBA
0
HBD
94.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.54 | 5.52 | 2900.0 | 2 |
| Giardia intestinalis CHEMBL612652 | IC50 | 4.3 | 4.3 | 50000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 2900.0 | nM | 5.54 | Antiparasitic activity against bloodstream form of Trypanosoma brucei brucei str... | 30468386 |
| Trypanosoma brucei brucei | IC50 | = | 3162.28 | nM | 5.5 | Antiparasitic activity against bloodstream form of Trypanosoma brucei brucei str... | 30468386 |
| Giardia intestinalis | IC50 | = | 50000.0 | nM | 4.3 | Antiparasitic activity against Giardia lamblia WB trophozoites after 24 to 48 hr... | 30468386 |
| Giardia intestinalis | IC50 | = | 50118.72 | nM | 4.3 | Antiparasitic activity against Giardia lamblia WB trophozoites after 24 to 48 hr... | 30468386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Trypanosoma brucei brucei | 2 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Giardia intestinalis | 2 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Mycobacterium tuberculosis | 2 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Staphylococcus aureus | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Escherichia coli | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Klebsiella pneumoniae | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Acinetobacter baumannii | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Pseudomonas aeruginosa | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Candida albicans | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Cryptococcus neoformans | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | HEK293 | 1 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine