Compound Detail
CHEMBL4848632
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Basic Information
| ChEMBL ID | CHEMBL4848632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUBPRXDFKLPILK-UHFFFAOYSA-N |
7
Targets
17
Activities
2
Assay Types
28
PK Parameters
18
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
3.43
ALogP
4
HBA
3
HBD
99.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 11 meas. best 8.16
IC50 6 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.16 | 7.55 | 6.9 | 9 |
| Plasmodium berghei CHEMBL612653 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.28 | 6.17 | 52.0 | 3 |
| Plasmodium vivax CHEMBL613013 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 11727.6 | ng.hr.mL-1 | Mus musculus |
| AUC | 101100.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 48528.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 19006.8 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 9000.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 12000.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 11000.0 | mL.min-1.g-1 | Mus musculus |
| CL | 14000.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 18000.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 17000.0 | mL.min-1.g-1 | Mus musculus |
| CL | 2.8 | mL.min-1.kg-1 | Mus musculus |
| CL | 6.8 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 2600.0 | nM | Mus musculus |
| Cmax | 20000.0 | nM | Mus musculus |
| Cmax | 14000.0 | nM | Rattus norvegicus |
| Cmax | 6000.0 | nM | Rattus norvegicus |
| F | 74.0 | % | Mus musculus |
| F | 70.0 | % | Mus musculus |
| F | 110.0 | % | Rattus norvegicus |
| F | 77.0 | % | Rattus norvegicus |
| T1/2 | 3.4 | hr | Mus musculus |
| T1/2 | 4.5 | hr | Mus musculus |
| T1/2 | 3.7 | hr | Rattus norvegicus |
| T1/2 | 5.9 | hr | Rattus norvegicus |
| Tmax | 4.0 | hr | Mus musculus |
| Tmax | 7.5 | hr | Mus musculus |
| Tmax | 2.5 | hr | Rattus norvegicus |
| Tmax | 0.7 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine