Compound Detail
CHEMBL220120
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Basic Information
| ChEMBL ID | CHEMBL220120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQEVREQISPKKPZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
313.6
MW (Da)
5.83
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 6.09 | 6.09 | 817.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | EC50 | = | 817.0 | nM | 6.09 | Antitrypanosomal activity against bloodstream form of Trypanosoma brucei rhodesi... | 22119463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17000108 | 10.1016/j.bmcl.2006.08.113 | NON-PROTEIN TARGET | 2 |
| 17000108 | 10.1016/j.bmcl.2006.08.113 | ADMET | 2 |
| 17000108 | 10.1016/j.bmcl.2006.08.113 | Macrophage | 2 |
| 22119463 | 10.1016/j.bmcl.2011.10.108 | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine