Compound Detail
CHEMBL4741532
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Basic Information
| ChEMBL ID | CHEMBL4741532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVOZLBJLEIOESS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
3
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
4.15
ALogP
4
HBA
2
HBD
55.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.99 | 6.99 | 103.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 809.55 | ng.hr.mL-1 | Mus musculus |
| CL | 63.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 5042.0 | mL.min-1.kg-1 | Mus musculus |
| F | 10.0 | % | Mus musculus |
| T1/2 | 4.0 | hr | Mus musculus |
| Vd | 22.0 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 103.0 | nM | 6.99 | Antiplasmodial activity against multidrug-sensitive Plasmodium falciparum NF54 t... | 33573376 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33573376 | 10.1021/acs.jmedchem.1c00034 | Plasmodium falciparum | 10 |
| 33573376 | 10.1021/acs.jmedchem.1c00034 | ADMET | 9 |
| 33573376 | 10.1021/acs.jmedchem.1c00034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine