Compound Detail
CHEMBL2179161
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CN(CC(=O)NN)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL2179161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQZUIBCSAABLPZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2220931 |
| Active Moiety | CHEMBL2220931 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
456.2
MW (Da)
2.57
ALogP
7
HBA
3
HBD
156.9
PSA (Ų)
0.26
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 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 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.57 | 5.57 | 2700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toxoplasma gondii | IC50 | = | 16.0 | nM | 7.8 | Antiapicomplexan activity against Toxoplasma gondii RH tachyzoites expressing ye... | 22970937 |
| Plasmodium falciparum | IC50 | = | 2700.0 | nM | 5.57 | Antiapicomplexan activity against chloroquine-resistant Plasmodium falciparum TM... | 22970937 |
| Plasmodium falciparum | IC50 | = | 2700.0 | nM | 5.57 | Antiapicomplexan activity against chloroquine-sensitive Plasmodium falciparum D6... | 22970937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22970937 | 10.1021/jm3007596 | Toxoplasma gondii | 7 |
| 22970937 | 10.1021/jm3007596 | Plasmodium falciparum | 2 |
| 22970937 | 10.1021/jm3007596 | Mus musculus | 1 |
| 22970937 | 10.1021/jm3007596 | HFF | 1 |
Data from ChEMBL 36 via Core Engine