Compound Detail
CHEMBL4547306
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Nc1ncnc2c1c(-c1ccc(F)cc1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL4547306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIZKGNJCAQKGSL-LSCFUAHRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
0.43
ALogP
8
HBA
4
HBD
126.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 6.31 | 6.31 | 490.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.05 | 5.05 | 8810.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 4.83 | 4.83 | 14700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 490.0 | nM | 6.31 | Antitrypanosomal activity against nifurtimox-sensitive Trypanosoma cruzi Tulahue... | 30677668 |
| Trypanosoma brucei brucei | EC50 | = | 8810.0 | nM | 5.05 | Antitrypanosomal activity against Trypanosoma brucei brucei Squib 427 after 48 h... | 30677668 |
| Trypanosoma brucei rhodesiense | EC50 | = | 14700.0 | nM | 4.83 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB-900 after ... | 30677668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30677668 | 10.1016/j.ejmech.2018.12.050 | Unchecked | 3 |
| 30677668 | 10.1016/j.ejmech.2018.12.050 | Trypanosoma cruzi | 2 |
| 30677668 | 10.1016/j.ejmech.2018.12.050 | Trypanosoma brucei brucei | 1 |
| 30677668 | 10.1016/j.ejmech.2018.12.050 | Trypanosoma brucei rhodesiense | 1 |
| 30677668 | 10.1016/j.ejmech.2018.12.050 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine