Compound Detail
CHEMBL222016
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 | CHEMBL222016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJGFAVUAFOXDJK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
480.9
MW (Da)
6.66
ALogP
4
HBA
1
HBD
45.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histidine-rich protein PFHRP-II CHEMBL1923 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.52 | 5.52 | 3031.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histidine-rich protein PFHRP-II | IC50 | = | 640.0 | nM | 6.19 | Inhibition of beta-hematin polymerization | 17228883 |
| Plasmodium falciparum | IC50 | = | 3031.0 | nM | 5.52 | Antiplasmodial activity against Plasmodium falciparum NF54 | 17228883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17228883 | 10.1021/jm061002i | Plasmodium falciparum | 2 |
| 17228883 | 10.1021/jm061002i | Histidine-rich protein PFHRP-II | 1 |
Data from ChEMBL 36 via Core Engine