Compound Detail
CHEMBL4102877
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Basic Information
| ChEMBL ID | CHEMBL4102877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFOKGCGVOGRSTA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
456.1
MW (Da)
5.58
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.40
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toxoplasma gondii CHEMBL612888 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toxoplasma gondii | IC50 | = | 44000.0 | nM | 4.36 | Antiparasitic activity against tachyzoite stage of Toxoplasma gondii expressing ... | 29598911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29598911 | 10.1016/j.bmcl.2018.03.036 | Toxoplasma gondii | 2 |
| 28943043 | 10.1016/j.bmcl.2017.09.026 | Human alphaherpesvirus 1 | 1 |
| 29598911 | 10.1016/j.bmcl.2018.03.036 | HFF | 1 |
| 29598911 | 10.1016/j.bmcl.2018.03.036 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine