Compound Detail
CHEMBL196053
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Basic Information
| ChEMBL ID | CHEMBL196053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARPJNWKQMQFKRZ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
272.4
MW (Da)
3.57
ALogP
4
HBA
2
HBD
57.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.19 | 4.19 | 64000.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.19 | 4.19 | 64000.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.06 | 4.06 | 88000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 64000.0 | nM | 4.19 | Inhibitory concentration against Trypanosoma cruzi [Tulahuen strain C2C4] in rat... | 16161997 |
| Trypanosoma brucei rhodesiense | IC50 | = | 64000.0 | nM | 4.19 | Inhibitory concentration against Trypanosoma brucei rhodesiense STIB 900 upon in... | 16161997 |
| Leishmania donovani | IC50 | = | 88000.0 | nM | 4.06 | Inhibitory concentration against amastigotes of Leishmania donovani strain MHOM/... | 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 | Leishmania donovani | 1 |
| 16161997 | 10.1021/jm049067d | Beta-ketoacyl-ACP-synthase III | 1 |
Data from ChEMBL 36 via Core Engine