Compound Detail
CHEMBL556563
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Basic Information
| ChEMBL ID | CHEMBL556563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZABEKPIJRFJED-UHFFFAOYSA-N |
| Parent Compound | CHEMBL581550 |
| Active Moiety | CHEMBL581550 |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
2.11
ALogP
3
HBA
8
HBD
147.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.27 | 6.27 | 538.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.22 | 6.22 | 607.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.81 | 4.81 | 15500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 538.0 | nM | 6.27 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 18247550 |
| Plasmodium falciparum | IC50 | = | 607.0 | nM | 6.22 | Antiplasmodial activity against Plasmodium falciparum K1 in [3H]hypoxanthine inc... | 18247550 |
| L6 | IC50 | = | 15500.0 | nM | 4.81 | Cytotoxicity against rat L6 cells | 18247550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18247550 | 10.1021/jm7013088 | Unchecked | 3 |
| 18247550 | 10.1021/jm7013088 | Trypanosoma brucei rhodesiense | 1 |
| 18247550 | 10.1021/jm7013088 | Plasmodium falciparum | 1 |
| 18247550 | 10.1021/jm7013088 | L6 | 1 |
| 18247550 | 10.1021/jm7013088 | Ferriprotoporphyrin IX | 1 |
Data from ChEMBL 36 via Core Engine