Compound Detail
CHEMBL196163
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Basic Information
| ChEMBL ID | CHEMBL196163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POMMSCYCMKIENL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
270.4
MW (Da)
4.99
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.14 | 4.14 | 72000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 6000.0 | nM | 5.22 | Inhibitory concentration against Trypanosoma brucei rhodesiense STIB 900 upon in... | 16161997 |
| Plasmodium falciparum | IC50 | = | 72000.0 | nM | 4.14 | In vitro inhibitory concentration against chloroquine-resistant, pyrimethamine-r... | 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