Compound Detail
CHEMBL261776
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Basic Information
| ChEMBL ID | CHEMBL261776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNAFPFQMSSGFMW-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
4.23
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Squalene synthase CHEMBL3338 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.33 | 4.33 | 47200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Squalene synthase | IC50 | = | 250.0 | nM | 6.6 | Inhibition of human recombinant squalene synthase | 17371809 |
| Unchecked | IC50 | = | 830.0 | nM | 6.08 | Inhibition of Trypanosoma cruzi recombinant squalene synthase | 17371809 |
| Trypanosoma cruzi | IC50 | = | 3100.0 | nM | 5.51 | Antitrypanosomal activity against intracellular Trypanosoma cruzi amastigotes in... | 17371809 |
| L6 | IC50 | = | 47200.0 | nM | 4.33 | 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