Compound Detail
CHEMBL404606
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Basic Information
| ChEMBL ID | CHEMBL404606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXZANURHEUSDFJ-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
2.08
ALogP
2
HBA
6
HBD
123.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.72
Ki 1 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.96 | 5.96 | 1090.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.88 | 5.88 | 1318.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 19.0 | nM | 7.72 | Antiplasmodial activity against Plasmodium falciparum K1 in [3H]hypoxanthine inc... | 18247550 |
| Trypanosoma brucei rhodesiense | IC50 | = | 45.0 | nM | 7.35 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 18247550 |
| L6 | IC50 | = | 1090.0 | nM | 5.96 | Cytotoxicity against rat L6 cells | 18247550 |
| Unchecked | Ki | = | 1318.26 | nM | 5.88 | Displacement of [3H]RX821002 from alpha2 adrenergic receptor in human brain pref... | 18459731 |
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 | Mus musculus | 1 |
| 18247550 | 10.1021/jm7013088 | Ferriprotoporphyrin IX | 1 |
| 18459731 | 10.1021/jm800026x | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine