Compound Detail
CHEMBL4585853
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Basic Information
| ChEMBL ID | CHEMBL4585853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSBNSQJWWAMPTP-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
4.70
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.68 | 4.4733 | 20700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 20700.0 | nM | 4.68 | Trypanocidal activity against Trypanosoma cruzi Y strain bloodstream trypomastig... | 31306817 |
| Trypanosoma cruzi | IC50 | = | 20700.0 | nM | 4.68 | Antitrypanosomal activity against bloodstream form of Trypanosoma cruzi Y amasti... | 33158575 |
| Trypanosoma cruzi | IC50 | = | 86700.0 | nM | 4.06 | Antitrypanosomal activity against bloodstream form of Trypanosoma cruzi Y trypom... | 33158575 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33158575 | 10.1016/j.ejmech.2020.112962 | Trypanosoma cruzi | 2 |
| 31306817 | 10.1016/j.ejmech.2019.06.056 | Unchecked | 1 |
| 31306817 | 10.1016/j.ejmech.2019.06.056 | Trypanosoma cruzi | 1 |
| 33158575 | 10.1016/j.ejmech.2020.112962 | LLC-MK2 | 1 |
Data from ChEMBL 36 via Core Engine