Compound Detail
CHEMBL585955
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Basic Information
| ChEMBL ID | CHEMBL585955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJKXVCRSXFNFGO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
360.8
MW (Da)
5.62
ALogP
3
HBA
1
HBD
72.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 19000.0 | nM | 4.72 | Antitrypanosomal activity against Trypanosoma brucei brucei after 48 hrs by lumi... | 19963377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19963377 | 10.1016/j.bmcl.2009.11.022 | Trypanosoma brucei brucei | 1 |
| 19963377 | 10.1016/j.bmcl.2009.11.022 | Plasmodium falciparum | 1 |
| 19963377 | 10.1016/j.bmcl.2009.11.022 | HepG2 | 1 |
| 19963377 | 10.1016/j.bmcl.2009.11.022 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine