Compound Detail
CHEMBL407518
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Basic Information
| ChEMBL ID | CHEMBL407518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBPRADAUDNFTNH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
175.2
MW (Da)
1.48
ALogP
1
HBA
3
HBD
61.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.0 | 6.0 | 990.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.13 | 4.13 | 73700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 950.0 | nM | 6.02 | Antiplasmodial activity against Plasmodium falciparum K1 in [3H]hypoxanthine inc... | 18247550 |
| Trypanosoma brucei rhodesiense | IC50 | = | 990.0 | nM | 6.0 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 18247550 |
| L6 | IC50 | = | 73700.0 | nM | 4.13 | Cytotoxicity against rat L6 cells | 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