Compound Detail
CHEMBL4850393
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Basic Information
| ChEMBL ID | CHEMBL4850393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKAPFUYAAPPCDI-UHFFFAOYSA-N |
4
Targets
14
Activities
2
Assay Types
16
PK Parameters
16
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
3.55
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 8.26
IC50 7 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.41 | 7.092 | 3.9 | 5 |
| Plasmodium falciparum CHEMBL364 | EC50 | 8.26 | 7.9157 | 5.5 | 7 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 84933.8 | ng.hr.mL-1 | Mus musculus |
| AUC | 140904.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 20000.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 21000.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 41000.0 | mL.min-1.g-1 | Mus musculus |
| CL | 36000.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 38000.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 75000.0 | mL.min-1.g-1 | Mus musculus |
| CL | 2.4 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 36000.0 | nM | Mus musculus |
| Cmax | 35000.0 | nM | Rattus norvegicus |
| F | 61.0 | % | Rattus norvegicus |
| T1/2 | 3.5 | hr | Mus musculus |
| T1/2 | 3.7 | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Mus musculus |
| Tmax | 3.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine