Compound Detail
CHEMBL300532
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 | CHEMBL300532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSSCVYXFDONUCF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
347.0
MW (Da)
0.89
ALogP
4
HBA
5
HBD
140.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Squalene synthase CHEMBL3338 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 4.36 | 4.36 | 44200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Squalene synthase | IC50 | = | 1400.0 | nM | 5.85 | Inhibitory activity against Leishmania major Farnesyl-diphosphatesynthase (FPP s... | 14695831 |
| Entamoeba histolytica | IC50 | = | 44200.0 | nM | 4.36 | In vitro growth inhibition against Entamoeba histolytica | 14695831 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14695831 | 10.1021/jm030084x | Entamoeba histolytica | 1 |
| 14695831 | 10.1021/jm030084x | Plasmodium falciparum | 1 |
| 14695831 | 10.1021/jm030084x | KB | 1 |
| 14695831 | 10.1021/jm030084x | ADMET | 1 |
| 14695831 | 10.1021/jm030084x | Squalene synthase | 1 |
Data from ChEMBL 36 via Core Engine