Compound Detail
CHEMBL5434485
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Basic Information
| ChEMBL ID | CHEMBL5434485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTDXGGDDWBXPPH-UDWIEESQSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
3.67
ALogP
6
HBA
1
HBD
109.7
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 6.06 | 6.045 | 880.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 630.0 | nM | 6.2 | Antitrypanosomal activity against of Trypanosoma cruzi epimastigotes | 37859724 |
| Leishmania infantum | IC50 | = | 880.0 | nM | 6.06 | Antileishmanial activity against Leishmania infantum promastigotes | 37859724 |
| Leishmania infantum | IC50 | = | 930.0 | nM | 6.03 | Antileishmanial activity against Leishmania infantum axenic amastigotes | 37859724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37859724 | 10.1039/d3md00243h | Leishmania infantum | 8 |
| 37859724 | 10.1039/d3md00243h | Trypanosoma cruzi | 7 |
| 37859724 | 10.1039/d3md00243h | ADMET | 3 |
| 37859724 | 10.1039/d3md00243h | No relevant target | 1 |
| 37859724 | 10.1039/d3md00243h | J774.1 | 1 |
Data from ChEMBL 36 via Core Engine