Compound Detail
CHEMBL4205799
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COC(=O)c1cc(OCCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1O.[Br-]
Basic Information
| ChEMBL ID | CHEMBL4205799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRYKVXLCVDRDAE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4299798 |
| Active Moiety | CHEMBL4299798 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
611.8
MW (Da)
8.84
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.07
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.55
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alternative oxidase, mitochondrial CHEMBL4295594 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alternative oxidase, mitochondrial | IC50 | = | 12.0 | nM | 7.92 | Inhibition of recombinant Trypanosoma brucei brucei alternative oxidase using ub... | 30258542 |
| Trypanosoma brucei brucei | EC50 | = | 28.0 | nM | 7.55 | 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