Compound Detail
CHEMBL4793729
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OC[C@H]1O[C@@H](n2cc(Cl)c3c(OC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL4793729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXWRKURHPMXAAI-LSCFUAHRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
383.8
MW (Da)
1.41
ALogP
8
HBA
3
HBD
109.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 6.42 | 6.42 | 380.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | EC50 | = | 380.0 | nM | 6.42 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense assessed as red... | 31931339 |
| Trypanosoma brucei brucei | EC50 | = | 400.0 | nM | 6.4 | Antitrypanosomal activity against Trypanosoma brucei brucei assessed as reductio... | 31931339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31931339 | 10.1016/j.ejmech.2019.112018 | Unchecked | 2 |
| 31931339 | 10.1016/j.ejmech.2019.112018 | Trypanosoma brucei brucei | 1 |
| 31931339 | 10.1016/j.ejmech.2019.112018 | Trypanosoma brucei rhodesiense | 1 |
| 31931339 | 10.1016/j.ejmech.2019.112018 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine