Compound Detail
CHEMBL222017
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Basic Information
| ChEMBL ID | CHEMBL222017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMTKIVZMKLOISX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
349.9
MW (Da)
4.00
ALogP
4
HBA
1
HBD
45.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histidine-rich protein PFHRP-II CHEMBL1923 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.89 | 5.89 | 1286.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histidine-rich protein PFHRP-II | IC50 | = | 980.0 | nM | 6.01 | Inhibition of beta-hematin polymerization | 17228883 |
| Plasmodium falciparum | IC50 | = | 1286.0 | nM | 5.89 | 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