Compound Detail
CHEMBL520082
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Basic Information
| ChEMBL ID | CHEMBL520082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPZHKMWQVLEILB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
4.09
ALogP
5
HBA
2
HBD
61.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 33.0 | nM | 7.48 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 after 7... | 17517831 |
| Trypanosoma brucei brucei | IC50 | = | 260.0 | nM | 6.58 | Antitrypanosomal activity against Trypanosoma brucei brucei S427 after 72 hrs | 17517831 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17517831 | 10.1128/aac.00005-07 | Unchecked | 2 |
| 17517831 | 10.1128/aac.00005-07 | Trypanosoma brucei rhodesiense | 1 |
| 17517831 | 10.1128/aac.00005-07 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine