Compound Detail
CHEMBL4585999
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Basic Information
| ChEMBL ID | CHEMBL4585999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFGXQBZUGLBRNH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
215.2
MW (Da)
1.79
ALogP
5
HBA
1
HBD
85.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 6.19 | 5.69 | 640.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 640.0 | nM | 6.19 | Anti-parasitic activity against type 1 nitroreductase over-expressing Trypanosom... | 30453246 |
| Trypanosoma brucei | IC50 | = | 6470.0 | nM | 5.19 | Anti-parasitic activity against wild type Trypanosoma brucei | 30453246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30453246 | 10.1016/j.ejmech.2018.11.013 | Trypanosoma brucei | 2 |
| 30453246 | 10.1016/j.ejmech.2018.11.013 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine