Compound Detail
CHEMBL5407773
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5407773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFBCTAWTXFMKRE-CIAFOILYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
332.3
MW (Da)
3.90
ALogP
4
HBA
1
HBD
66.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.04 | 4.76 | 9070.0 | 2 |
| Leishmania infantum CHEMBL612848 | IC50 | 5.04 | 4.995 | 9070.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 9070.0 | nM | 5.04 | Antileishmanial activity against Leishmania infantum promastigotes | 37859724 |
| Trypanosoma cruzi | IC50 | = | 9070.0 | nM | 5.04 | Antitrypanosomal activity against of Trypanosoma cruzi epimastigotes | 37859724 |
| Leishmania infantum | IC50 | = | 11120.0 | nM | 4.95 | Antileishmanial activity against Leishmania infantum axenic amastigotes | 37859724 |
| Trypanosoma cruzi | IC50 | = | 33130.0 | nM | 4.48 | Antitrypanosomal activity against of Trypanosoma cruzi epimastigotes in presence... | 37859724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37859724 | 10.1039/d3md00243h | Leishmania infantum | 5 |
| 37859724 | 10.1039/d3md00243h | Trypanosoma cruzi | 5 |
| 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