Compound Detail
CHEMBL551375
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(=O)OCCSC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL551375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFDCDPMCZRDECI-LSCFUAHRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
468.5
MW (Da)
0.05
ALogP
14
HBA
2
HBD
183.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.9 | 4.635 | 12500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 12500.0 | nM | 4.9 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei ... | 17954686 |
| Trypanosoma brucei brucei | IC50 | = | 43000.0 | nM | 4.37 | Antitrypanosomal activity against pentamidine and melarsoprol-resistant bloodstr... | 17954686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17954686 | 10.1128/aac.00480-07 | Trypanosoma brucei brucei | 4 |
Data from ChEMBL 36 via Core Engine