Compound Detail
CHEMBL546284
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Basic Information
| ChEMBL ID | CHEMBL546284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQCYGVGSFMDQJD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
20
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
2.52
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toxoplasma gondii CHEMBL612888 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1667 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toxoplasma gondii | IC50 | = | 16.0 | nM | 7.8 | Antiparasitic activity against Toxoplasma gondii | 31585276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22352841 | 10.1021/jm2015183 | Unchecked | 4 |
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 22352841 | 10.1021/jm2015183 | Liver microsomes | 3 |
| 22352841 | 10.1021/jm2015183 | No relevant target | 2 |
| 22352841 | 10.1021/jm2015183 | Trypanosoma brucei rhodesiense | 1 |
| 31585276 | 10.1016/j.ejmech.2019.111711 | No relevant target | 1 |
| 31585276 | 10.1016/j.ejmech.2019.111711 | Toxoplasma gondii | 1 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 1 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| 22352841 | 10.1021/jm2015183 | L6 | 1 |
| 22352841 | 10.1021/jm2015183 | Plasmodium falciparum | 1 |
| 22352841 | 10.1021/jm2015183 | Leishmania donovani | 1 |
| 22352841 | 10.1021/jm2015183 | Trypanosoma cruzi | 1 |
| 22352841 | 10.1021/jm2015183 | Plasma | 1 |
| 22352841 | 10.1021/jm2015183 | Cytochrome P450 2C9 | 1 |
| 22352841 | 10.1021/jm2015183 | Cytochrome P450 2D6 | 1 |
| 22352841 | 10.1021/jm2015183 | Cytochrome P450 3A4 | 1 |
| 22352841 | 10.1021/jm2015183 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine