Compound Detail
CHEMBL406774
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Basic Information
| ChEMBL ID | CHEMBL406774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLSXDUNLWJVJDD-JOCHJYFZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
3.07
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of Trypanosoma cruzi recombinant squalene synthase | 17371809 |
| Trypanosoma cruzi | IC50 | = | 9600.0 | nM | 5.02 | Antitrypanosomal activity against intracellular Trypanosoma cruzi amastigotes in... | 17371809 |
| L6 | IC50 | = | 45000.0 | nM | 4.35 | Growth inhibition of rat L6 cells | 17371809 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17371809 | 10.1128/aac.01454-06 | Unchecked | 3 |
| 17371809 | 10.1128/aac.01454-06 | Squalene synthase | 1 |
| 17371809 | 10.1128/aac.01454-06 | Trypanosoma cruzi | 1 |
| 17371809 | 10.1128/aac.01454-06 | L6 | 1 |
Data from ChEMBL 36 via Core Engine