Compound Detail
CHEMBL3613558
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Basic Information
| ChEMBL ID | CHEMBL3613558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVYLMTHRJHZCOA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.9
MW (Da)
1.95
ALogP
3
HBA
5
HBD
101.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.38 | 5.37 | 4220.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 4220.0 | nM | 5.38 | Trypanocidal activity against wild type bloodstream form of Trypanosoma brucei b... | 26231081 |
| Trypanosoma brucei brucei | EC50 | = | 4350.0 | nM | 5.36 | Trypanocidal activity against diminazene/pentamidine/melaminophenyl arsenicals-r... | 26231081 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26231081 | 10.1016/j.ejmech.2015.07.013 | Trypanosoma brucei brucei | 3 |
| 26231081 | 10.1016/j.ejmech.2015.07.013 | Unchecked | 1 |
| 26231081 | 10.1016/j.ejmech.2015.07.013 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine