Compound Detail
CHEMBL192722
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Basic Information
| ChEMBL ID | CHEMBL192722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCPQAWXXXAHYKI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
2.25
ALogP
4
HBA
6
HBD
114.3
PSA (Ų)
0.25
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.32 | 4.32 | 47500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3000.0 | nM | 5.52 | In vitro antiprotozoal activity for Plasmodium falciparum K1 | 16107146 |
| Trypanosoma brucei rhodesiense | IC50 | = | 47500.0 | nM | 4.32 | In vitro antiprotozoal activity against Trypanosoma brucei rhodesiense strain ST... | 16107146 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16107146 | 10.1021/jm058190h | Mus musculus | 2 |
| 16107146 | 10.1021/jm058190h | Trypanosoma brucei rhodesiense | 1 |
| 16107146 | 10.1021/jm058190h | Plasmodium falciparum | 1 |
| 16107146 | 10.1021/jm058190h | L6 | 1 |
Data from ChEMBL 36 via Core Engine