Compound Detail
CHEMBL3922098
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3922098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXSBPTZJCUADTH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
2.17
ALogP
6
HBA
1
HBD
67.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.3 | 4.94 | 5000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 5000.0 | nM | 5.3 | Antiparasitic activity against Plasmodium falciparum NF54 infected in human eryt... | 27721149 |
| Plasmodium falciparum | IC50 | = | 26000.0 | nM | 4.58 | Antiplasmodial activity against chloroquine sensitive Plasmodium falciparum NF54... | 33131885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27721149 | 10.1016/j.ejmech.2016.09.085 | Plasmodium falciparum | 1 |
| 33131885 | 10.1016/j.ejmech.2020.112955 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine