Compound Detail
CHEMBL389344
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Basic Information
| ChEMBL ID | CHEMBL389344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIJYTBVUMUXEGT-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1185101 |
| Active Moiety | CHEMBL1185101 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
5.49
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.20
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.37 | 6.21 | 430.0 | 2 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 430.0 | nM | 6.37 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 20382538 |
| Trypanosoma brucei brucei | IC50 | = | 690.0 | nM | 6.16 | Antitrypanosomal activity against Trypanosoma brucei brucei after 48 hrs | 17239596 |
| Plasmodium falciparum | IC50 | = | 890.0 | nM | 6.05 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum Dd2 ... | 20382538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20382538 | 10.1016/j.bmc.2010.03.067 | Plasmodium falciparum | 2 |
| 17239596 | 10.1016/j.bmcl.2006.12.088 | Trypanosoma brucei brucei | 1 |
| 17239596 | 10.1016/j.bmcl.2006.12.088 | ADMET | 1 |
| 20382538 | 10.1016/j.bmc.2010.03.067 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine