Compound Detail
CHEMBL532497
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Basic Information
| ChEMBL ID | CHEMBL532497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHPKILURIHKBMR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
431.2
MW (Da)
5.37
ALogP
5
HBA
1
HBD
98.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toxoplasma gondii CHEMBL612888 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.16 | 6.135 | 690.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toxoplasma gondii | IC50 | = | 61.0 | nM | 7.21 | Antiapicomplexan activity against Toxoplasma gondii RH tachyzoites expressing ye... | 22970937 |
| Plasmodium falciparum | IC50 | = | 690.0 | nM | 6.16 | Antiapicomplexan activity against chloroquine-resistant Plasmodium falciparum TM... | 22970937 |
| Plasmodium falciparum | IC50 | = | 770.0 | nM | 6.11 | Antiapicomplexan activity against chloroquine-sensitive Plasmodium falciparum D6... | 22970937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22970937 | 10.1021/jm3007596 | Toxoplasma gondii | 9 |
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 22970937 | 10.1021/jm3007596 | Plasmodium falciparum | 2 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| 22970937 | 10.1021/jm3007596 | HFF | 1 |
Data from ChEMBL 36 via Core Engine