Compound Detail
CHEMBL389221
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Basic Information
| ChEMBL ID | CHEMBL389221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDHGPQJWHZGPBN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
4.67
ALogP
6
HBA
4
HBD
116.2
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.03 | 7.03 | 93.2 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.43 | 6.43 | 373.8 | 1 |
| L6 CHEMBL614793 | IC50 | 4.66 | 4.66 | 21700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 93.2 | nM | 7.03 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 | 17439202 |
| Trypanosoma brucei rhodesiense | IC50 | = | 373.8 | nM | 6.43 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense | 17439202 |
| L6 | IC50 | = | 21700.0 | nM | 4.66 | Cytotoxicity against rat L6 cells | 17439202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17439202 | 10.1021/jm0612867 | Trypanosoma brucei rhodesiense | 1 |
| 17439202 | 10.1021/jm0612867 | Plasmodium falciparum | 1 |
| 17439202 | 10.1021/jm0612867 | L6 | 1 |
Data from ChEMBL 36 via Core Engine