Compound Detail
CHEMBL405590
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 | CHEMBL405590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNYOMMWMIQTZMD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
275.4
MW (Da)
4.51
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.69 | 4.69 | 20500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 730.0 | nM | 6.14 | Inhibition of Trypanosoma cruzi recombinant squalene synthase | 17371809 |
| Trypanosoma cruzi | IC50 | = | 4700.0 | nM | 5.33 | Antitrypanosomal activity against intracellular Trypanosoma cruzi amastigotes in... | 17371809 |
| L6 | IC50 | = | 20500.0 | nM | 4.69 | 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