Compound Detail
CHEMBL197941
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Basic Information
| ChEMBL ID | CHEMBL197941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUAVQZUTUIIAHA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
326.6
MW (Da)
6.55
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.15 | 4.15 | 71000.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.11 | 4.11 | 77000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 8000.0 | nM | 5.1 | Inhibitory concentration against Trypanosoma brucei rhodesiense STIB 900 upon in... | 16161997 |
| Plasmodium falciparum | IC50 | = | 71000.0 | nM | 4.15 | In vitro inhibitory concentration against chloroquine-resistant, pyrimethamine-r... | 16161997 |
| Trypanosoma cruzi | IC50 | = | 77000.0 | nM | 4.11 | Inhibitory concentration against Trypanosoma cruzi [Tulahuen strain C2C4] in rat... | 16161997 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16161997 | 10.1021/jm049067d | Plasmodium falciparum | 1 |
| 16161997 | 10.1021/jm049067d | Trypanosoma cruzi | 1 |
| 16161997 | 10.1021/jm049067d | Trypanosoma brucei rhodesiense | 1 |
| 16161997 | 10.1021/jm049067d | Beta-ketoacyl-ACP-synthase III | 1 |
Data from ChEMBL 36 via Core Engine