Compound Detail
CHEMBL271809
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Basic Information
| ChEMBL ID | CHEMBL271809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDXHQTQUDVVWOS-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
2.00
ALogP
6
HBA
4
HBD
72.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.31
Ki 1 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.94 | 7.94 | 11.5 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.32 | 6.32 | 478.6 | 1 |
| L6 CHEMBL614793 | IC50 | 4.08 | 4.08 | 83400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 4.9 | nM | 8.31 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 18247550 |
| Plasmodium falciparum | IC50 | = | 11.5 | nM | 7.94 | Antiplasmodial activity against Plasmodium falciparum K1 in [3H]hypoxanthine inc... | 18247550 |
| Unchecked | Ki | = | 478.63 | nM | 6.32 | Displacement of [3H]RX821002 from alpha2 adrenergic receptor in human brain pref... | 18459731 |
| L6 | IC50 | = | 83400.0 | nM | 4.08 | 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 |
| 18459731 | 10.1021/jm800026x | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine