Compound Detail
CHEMBL41764
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Basic Information
| ChEMBL ID | CHEMBL41764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNEVFYZPFLULSP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
4.32
ALogP
4
HBA
1
HBD
47.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.1 | 4.935 | 7880.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 7880.0 | nM | 5.1 | Trypanocidal activity against Trypanosoma cruzi Y strain amastigotes measured af... | 32810750 |
| Trypanosoma cruzi | IC50 | = | 17000.0 | nM | 4.77 | Concentration required to inhibit proliferation of the epimastigote form of Tryp... | 9554887 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9554887 | 10.1021/jm970860z | Trypanosoma cruzi | 1 |
| 32810750 | 10.1016/j.ejmech.2020.112673 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine