Compound Detail
CHEMBL4852828
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Basic Information
| ChEMBL ID | CHEMBL4852828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZFXVOFXYBOJRM-ZDUSSCGKSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
1.40
ALogP
5
HBA
3
HBD
95.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium knowlesi CHEMBL613011 | IC50 | 8.21 | 8.21 | 6.1 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.55 | hr | Mus musculus |
| T1/2 | 2.533 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium knowlesi | IC50 | = | 6.1 | nM | 8.21 | Antiplasmodial activity against Plasmodium knowlesi infected in human erythrocyt... | 33792339 |
| Plasmodium falciparum | IC50 | = | 160.0 | nM | 6.8 | Antiplasmodial activity against ring stage Plasmodium falciparum 3D7 infected in... | 33792339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33792339 | 10.1021/acs.jmedchem.0c01755 | ADMET | 11 |
| 33792339 | 10.1021/acs.jmedchem.0c01755 | Plasmodium falciparum | 6 |
| 33792339 | 10.1021/acs.jmedchem.0c01755 | HFF | 2 |
| 33792339 | 10.1021/acs.jmedchem.0c01755 | Plasmodium knowlesi | 1 |
| 33792339 | 10.1021/acs.jmedchem.0c01755 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine