Compound Detail
CHEMBL4568326
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Basic Information
| ChEMBL ID | CHEMBL4568326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSKQSGYVUNFGDX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
2.36
ALogP
3
HBA
2
HBD
74.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.9 | 5.9 | 1258.9 | 1 |
| Toxoplasma gondii CHEMBL612888 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 4.5 | 4.5 | 31622.8 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.5 | 4.5 | 31622.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1258.93 | nM | 5.9 | Antiplasmodial activity against Plasmodium falciparum assessed as inhibition of ... | 38330051 |
| Toxoplasma gondii | IC50 | = | 2000.0 | nM | 5.7 | Antiparasitic activity against Toxoplasma gondii infected in human HFF cells aft... | 31585276 |
| Trypanosoma brucei | IC50 | = | 31622.78 | nM | 4.5 | Antitrypanosomal activity against Trypanosoma brucei assessed as inhibition of p... | 38330051 |
| Trypanosoma brucei brucei | IC50 | = | 31622.78 | nM | 4.5 | Antitrypanosomal activity against Trypanosoma brucei brucei Squib 427 infected i... | 37471520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31585276 | 10.1016/j.ejmech.2019.111711 | Toxoplasma gondii | 1 |
| 38330051 | 10.1021/acs.jmedchem.3c01976 | Trypanosoma brucei | 1 |
| 38330051 | 10.1021/acs.jmedchem.3c01976 | MRC5 | 1 |
| 38330051 | 10.1021/acs.jmedchem.3c01976 | Plasmodium falciparum | 1 |
| 37471520 | 10.1021/acs.jmedchem.3c00161 | Trypanosoma brucei brucei | 1 |
| 37471520 | 10.1021/acs.jmedchem.3c00161 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine