Compound Detail
CHEMBL1774296
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Basic Information
| ChEMBL ID | CHEMBL1774296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFBCISMIFCPFKL-UCSFFQSWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
789.1
MW (Da)
3.11
ALogP
14
HBA
4
HBD
169.1
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toxoplasma gondii CHEMBL612888 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toxoplasma gondii | IC50 | = | 13000.0 | nM | 4.89 | Antiparasitic activity against Toxoplasma gondii 2F-1 expressing yellow fluoresc... | 21428405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21428405 | 10.1021/jm101593u | Toxoplasma gondii | 1 |
| 21428405 | 10.1021/jm101593u | Bacillus subtilis | 1 |
| 21428405 | 10.1021/jm101593u | HFF | 1 |
Data from ChEMBL 36 via Core Engine