Compound Detail
CHEMBL4846750
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Basic Information
| ChEMBL ID | CHEMBL4846750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGNRYIMMYSHVSW-DSLYKMLBSA-N |
1
Targets
2
Activities
1
Assay Types
5
PK Parameters
3
Publications
0
Known Names
Molecular Properties
455.6
MW (Da)
4.94
ALogP
6
HBA
0
HBD
49.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.95 | 7.925 | 11.2 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1438.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 27.1 | mL.min-1.g-1 | Homo sapiens |
| Cmax | 899.91 | nM | Rattus norvegicus |
| F | 76.4 | % | Rattus norvegicus |
| Tmax | 2.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 11.25 | nM | 7.95 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 i... | 34267877 |
| Plasmodium falciparum | IC50 | = | 12.49 | nM | 7.9 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 ... | 34267877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34267877 | 10.1021/acsmedchemlett.1c00031 | ADMET | 6 |
| 34267877 | 10.1021/acsmedchemlett.1c00031 | No relevant target | 5 |
| 34267877 | 10.1021/acsmedchemlett.1c00031 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine