Compound Detail
CHEMBL594030
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Basic Information
| ChEMBL ID | CHEMBL594030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRWIJVJNIFCISL-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
182.2
MW (Da)
2.68
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.39 | 4.39 | 40900.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.01 | 4.01 | 97500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 7800.0 | nM | 5.11 | Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium... | 19781948 |
| Trypanosoma brucei rhodesiense | IC50 | = | 8400.0 | nM | 5.08 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense | 19781948 |
| Unchecked | IC50 | = | 20000.0 | nM | 4.7 | Selectivity index, ratio of IC50 for rat L6 cells to IC50 for chloroquine and py... | 19781948 |
| Trypanosoma cruzi | IC50 | = | 40900.0 | nM | 4.39 | Antitrypanosomal activity against Trypanosoma cruzi | 19781948 |
| Leishmania donovani | IC50 | = | 97500.0 | nM | 4.01 | Antileishmanial activity against Leishmania donovani axenic amastigotes | 19781948 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19781948 | 10.1016/j.bmc.2009.08.057 | Trypanosoma brucei rhodesiense | 1 |
| 19781948 | 10.1016/j.bmc.2009.08.057 | Plasmodium falciparum | 1 |
| 19781948 | 10.1016/j.bmc.2009.08.057 | L6 | 1 |
| 19781948 | 10.1016/j.bmc.2009.08.057 | Trypanosoma cruzi | 1 |
| 19781948 | 10.1016/j.bmc.2009.08.057 | Leishmania donovani | 1 |
| 19781948 | 10.1016/j.bmc.2009.08.057 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine