Compound Detail
CHEMBL5431637
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Basic Information
| ChEMBL ID | CHEMBL5431637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKPFAEYRQVYVAK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
270.7
MW (Da)
3.24
ALogP
4
HBA
2
HBD
63.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | IC50 | 5.81 | 5.75 | 1560.0 | 2 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.94 | 4.83 | 11480.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 1560.0 | nM | 5.81 | Antileishmanial activity against Leishmania infantum promastigotes | 37859724 |
| Leishmania infantum | IC50 | = | 2050.0 | nM | 5.69 | Antileishmanial activity against Leishmania infantum promastigotes in presence o... | 37859724 |
| Trypanosoma cruzi | IC50 | = | 11480.0 | nM | 4.94 | Antitrypanosomal activity against of Trypanosoma cruzi epimastigotes | 37859724 |
| Trypanosoma cruzi | IC50 | = | 19120.0 | nM | 4.72 | Antitrypanosomal activity against of Trypanosoma cruzi epimastigotes in presence... | 37859724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37859724 | 10.1039/d3md00243h | Leishmania infantum | 6 |
| 37859724 | 10.1039/d3md00243h | Trypanosoma cruzi | 6 |
Data from ChEMBL 36 via Core Engine