Compound Detail
CHEMBL532729
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Basic Information
| ChEMBL ID | CHEMBL532729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNZJZGIPZIOXFV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL534122 |
| Active Moiety | CHEMBL534122 |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
2.07
ALogP
7
HBA
6
HBD
114.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.91 | 6.91 | 122.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 28.0 | nM | 7.55 | Antiplasmodial activity against Plasmodium falciparum K1 in [3H]hypoxanthine inc... | 18247550 |
| Trypanosoma brucei rhodesiense | IC50 | = | 122.0 | nM | 6.91 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 18247550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 18247550 | 10.1021/jm7013088 | Trypanosoma brucei rhodesiense | 3 |
| 18247550 | 10.1021/jm7013088 | Unchecked | 3 |
| 18247550 | 10.1021/jm7013088 | Plasmodium falciparum | 1 |
| 18247550 | 10.1021/jm7013088 | L6 | 1 |
| 18247550 | 10.1021/jm7013088 | Ferriprotoporphyrin IX | 1 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine