Compound Detail
CHEMBL3581479
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Basic Information
| ChEMBL ID | CHEMBL3581479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLUORMNCJKKNSB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
15
PK Parameters
6
Publications
0
Known Names
Molecular Properties
286.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.85 | 8.785 | 1.4 | 2 |
| Jurkat CHEMBL397 | IC50 | 5.12 | 5.12 | 7590.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 990.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 610.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 400.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 100.0 | ng.hr.mL-1 | Mus musculus |
| CL | 207.72 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 3216.22 | nM | Mus musculus |
| Cmax | 559.34 | nM | Mus musculus |
| F | 29.0 | % | Mus musculus |
| F | 23.0 | % | Mus musculus |
| T1/2 | 0.13 | hr | Mus musculus |
| T1/2 | 1.5 | hr | Mus musculus |
| T1/2 | 0.3 | hr | Mus musculus |
| T1/2 | 1.0 | hr | Mus musculus |
| Tmax | 0.25 | hr | Mus musculus |
| Tmax | 0.25 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1.4 | nM | 8.85 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 cul... | 26067904 |
| Plasmodium falciparum | IC50 | = | 1.9 | nM | 8.72 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 cu... | 26067904 |
| Jurkat | IC50 | = | 7590.0 | nM | 5.12 | Cytotoxicity against human Jurkat cells incubated for 72 hrs by MTT assay | 26067904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26067904 | 10.1021/acs.jmedchem.5b00678 | Plasmodium berghei | 49 |
| 26067904 | 10.1021/acs.jmedchem.5b00678 | Mus musculus | 16 |
| 26067904 | 10.1021/acs.jmedchem.5b00678 | Plasmodium falciparum | 2 |
| 26067904 | 10.1021/acs.jmedchem.5b00678 | Liver microsome | 2 |
| 26067904 | 10.1021/acs.jmedchem.5b00678 | ADMET | 2 |
| 26067904 | 10.1021/acs.jmedchem.5b00678 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine