Compound Detail
CHEMBL5558207
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Basic Information
| ChEMBL ID | CHEMBL5558207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYTSEUQBLYSXFG-UHFFFAOYSA-O |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
2.60
ALogP
3
HBA
4
HBD
123.9
PSA (Ų)
0.23
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.4 | 7.085 | 40.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 40.0 | nM | 7.4 | Inhibition of Toxoplasma gondii Heptaprenyl Diphosphate Synthase Coq1 expressed ... | 37871407 |
| Unchecked | IC50 | = | 170.0 | nM | 6.77 | Inhibition of Toxoplasma gondii Farnesyl pyrophosphate synthase | 37871407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37871407 | 10.1016/j.ejmech.2023.115885 | Unchecked | 2 |
| 37871407 | 10.1016/j.ejmech.2023.115885 | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine