Compound Detail
CHEMBL4279944
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Basic Information
| ChEMBL ID | CHEMBL4279944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USCQPYJSSOLYSR-UHFFFAOYSA-M |
| Parent Compound | CHEMBL4300047 |
| Active Moiety | CHEMBL4300047 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
2.02
ALogP
5
HBA
2
HBD
96.3
PSA (Ų)
0.25
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 16000.0 | nM | 4.8 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 i... | 30344904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30344904 | 10.1021/acsmedchemlett.8b00223 | Unchecked | 1 |
| 30344904 | 10.1021/acsmedchemlett.8b00223 | MRC5 | 1 |
| 30344904 | 10.1021/acsmedchemlett.8b00223 | Mycobacterium tuberculosis | 1 |
| 30344904 | 10.1021/acsmedchemlett.8b00223 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine