Compound Detail
CHEMBL117831
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Basic Information
| ChEMBL ID | CHEMBL117831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILJCZQVNOTYOMQ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
325.3
MW (Da)
4.72
ALogP
3
HBA
0
HBD
41.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.17 | 4.9567 | 6700.0 | 3 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 6700.0 | nM | 5.17 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 | 12139461 |
| Plasmodium falciparum | IC50 | = | 14000.0 | nM | 4.85 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum Ghan... | 12139461 |
| Plasmodium falciparum | IC50 | = | 14000.0 | nM | 4.85 | Antimicrobial activity against Plasmodium falciparum | 20185316 |
| Trypanosoma cruzi | IC50 | = | 32000.0 | nM | 4.5 | Antimicrobial activity against Trypanosoma cruzi | 20185316 |
| Trypanosoma brucei | IC50 | = | 32000.0 | nM | 4.5 | Antimicrobial activity against Trypanosoma brucei | 20185316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12139461 | 10.1021/jm011102i | Plasmodium falciparum | 2 |
| 12139461 | 10.1021/jm011102i | MRC5 | 1 |
| 12139461 | 10.1021/jm011102i | Trypanosoma brucei | 1 |
| 12139461 | 10.1021/jm011102i | Trypanosoma cruzi | 1 |
| 12139461 | 10.1021/jm011102i | Nucleic Acid | 1 |
| 12139461 | 10.1021/jm011102i | Histidine-rich protein PFHRP-II | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Trypanosoma cruzi | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Trypanosoma brucei | 1 |
Data from ChEMBL 36 via Core Engine