Compound Detail
CHEMBL4786260
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CCOC(=O)c1csc(NC(=O)c2cc(NC(=O)c3csc(NC(=O)OC(C)(C)C)n3)cn2C)n1
Basic Information
| ChEMBL ID | CHEMBL4786260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZQWHNSANGXQJB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
3.97
ALogP
11
HBA
3
HBD
153.5
PSA (Ų)
0.40
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 8.15 | 8.15 | 7.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 7.1 | nM | 8.15 | Antitrypanosomal activity against bloodstream form Trypanosoma brucei brucei 427... | 31978782 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31978782 | 10.1016/j.ejmech.2020.112043 | Trypanosoma brucei brucei | 17 |
| 31978782 | 10.1016/j.ejmech.2020.112043 | DNA | 4 |
| 31978782 | 10.1016/j.ejmech.2020.112043 | Unchecked | 2 |
| 31978782 | 10.1016/j.ejmech.2020.112043 | J774 | 1 |
Data from ChEMBL 36 via Core Engine