Compound Detail
CHEMBL3613562
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Basic Information
| ChEMBL ID | CHEMBL3613562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNLYFJYISIHBNE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
0.69
ALogP
4
HBA
5
HBD
114.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.98 | 5.735 | 1040.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 1040.0 | nM | 5.98 | Trypanocidal activity against wild type bloodstream form of Trypanosoma brucei b... | 26231081 |
| Trypanosoma brucei brucei | EC50 | = | 3230.0 | nM | 5.49 | 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 | HEK-293T | 1 |
| 26231081 | 10.1016/j.ejmech.2015.07.013 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine