Compound Detail
CHEMBL537246
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Basic Information
| ChEMBL ID | CHEMBL537246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOLYKNBFTOWNML-UHFFFAOYSA-N |
| Parent Compound | CHEMBL536587 |
| Active Moiety | CHEMBL536587 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
2.29
ALogP
4
HBA
2
HBD
53.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 5200.0 | nM | 5.28 | Antiplasmodial activity against Plasmodium falciparum K1 in [3H]hypoxanthine inc... | 18247550 |
| Trypanosoma brucei rhodesiense | IC50 | = | 9400.0 | nM | 5.03 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 18247550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18247550 | 10.1021/jm7013088 | Trypanosoma brucei rhodesiense | 1 |
| 18247550 | 10.1021/jm7013088 | Plasmodium falciparum | 1 |
| 18247550 | 10.1021/jm7013088 | L6 | 1 |
Data from ChEMBL 36 via Core Engine