Compound Detail
CHEMBL5428702
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Basic Information
| ChEMBL ID | CHEMBL5428702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPTQNJDDGYHLRH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
2.72
ALogP
4
HBA
2
HBD
63.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | IC50 | 5.3 | 5.3 | 5010.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.75 | 4.75 | 17950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 5010.0 | nM | 5.3 | Antileishmanial activity against Leishmania infantum promastigotes | 37859724 |
| Trypanosoma cruzi | IC50 | = | 17950.0 | nM | 4.75 | Antitrypanosomal activity against of Trypanosoma cruzi epimastigotes | 37859724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37859724 | 10.1039/d3md00243h | Leishmania infantum | 1 |
| 37859724 | 10.1039/d3md00243h | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine