Compound Detail
CHEMBL4204480
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Basic Information
| ChEMBL ID | CHEMBL4204480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQFZUMNPQUHGHG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4302894 |
| Active Moiety | CHEMBL4302894 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
506.7
MW (Da)
7.69
ALogP
4
HBA
1
HBD
59.6
PSA (Ų)
0.12
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 290.0 | nM | 6.54 | Antiparasitic activity against bloodstream trypomastigote stage of wild type Try... | 30258542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30258542 | 10.1021/acsmedchemlett.8b00282 | Trypanosoma brucei brucei | 2 |
| 30258542 | 10.1021/acsmedchemlett.8b00282 | Alternative oxidase, mitochondrial | 1 |
| 30258542 | 10.1021/acsmedchemlett.8b00282 | Unchecked | 1 |
| 30258542 | 10.1021/acsmedchemlett.8b00282 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine