Compound Detail
CHEMBL3216141
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Basic Information
| ChEMBL ID | CHEMBL3216141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWPUOWPQZKXQEP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3040212 |
| Active Moiety | CHEMBL3040212 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
398.6
MW (Da)
5.67
ALogP
2
HBA
4
HBD
71.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 16.0 | nM | 7.8 | Antiprotozoal activity against chloroquine-resistant Plasmodium falciparum K1 af... | 23795673 |
| Trypanosoma brucei rhodesiense | IC50 | = | 47.0 | nM | 7.33 | Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 after 72 h... | 23795673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23795673 | 10.1021/jm400508e | Trypanosoma brucei rhodesiense | 3 |
| 23795673 | 10.1021/jm400508e | Unchecked | 3 |
| 23795673 | 10.1021/jm400508e | L6 | 1 |
| 23795673 | 10.1021/jm400508e | Plasmodium falciparum | 1 |
| 23795673 | 10.1021/jm400508e | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine