Compound Detail
CHEMBL579443
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL579443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNJSYWPAPLJIMK-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
459.9
MW (Da)
6.39
ALogP
5
HBA
0
HBD
57.5
PSA (Ų)
0.19
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.36
EC50 2 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.67 | 6.425 | 215.5 | 2 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.36 | 5.36 | 4320.2 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 4.97 | 4.97 | 10660.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.94 | 4.94 | 11578.1 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.79 | 4.79 | 16112.4 | 1 |
| MRC5 CHEMBL614181 | IC50 | 4.73 | 4.73 | 18513.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 215.5 | nM | 6.67 | MMV: Inhibition of Plasmodium falciparum 3D7 (EC50). | - |
| Plasmodium falciparum | EC50 | = | 659.0 | nM | 6.18 | MMV: Inhibition of Plasmodium falciparum K1 (EC50). | - |
| Trypanosoma brucei rhodesiense | IC50 | = | 4320.24 | nM | 5.36 | MMV: Inhibition of Trypanosoma brucei rhodesiense (STIB 900) (HAT in vitro). | - |
| Entamoeba histolytica | IC50 | = | 10660.0 | nM | 4.97 | MMV: Primary screening was performed with each compound at a 30 uM final concent... | - |
| Trypanosoma cruzi | IC50 | = | 11578.15 | nM | 4.94 | MMV: Inhibition of Trypanosoma cruzi (Tulahuen C4 LacZ) (Chagas in vitro). | - |
| Trypanosoma brucei brucei | IC50 | = | 16112.42 | nM | 4.79 | MMV: Inhibition of Trypanosoma brucei brucei (Squib 427) (HAT in vitro). | - |
| MRC5 | IC50 | = | 18513.76 | nM | 4.73 | MMV: Cytotoxicity against human fibroblasts (MRC-5) cells. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301486 | Unchecked | 8 |
| - | 10.6019/CHEMBL3301472 | Human immunodeficiency virus 1 | 7 |
| - | 10.6019/CHEMBL3301472 | NON-PROTEIN TARGET | 6 |
| - | 10.6019/CHEMBL3301550 | Plasmodium falciparum | 4 |
| - | 10.6019/CHEMBL3137381 | Onchocerca lienalis | 4 |
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| - | 10.6019/CHEMBL2363022 | Schistosoma mansoni | 3 |
| - | 10.6019/CHEMBL3301546 | Saccharomyces cerevisiae | 3 |
| - | 10.6019/CHEMBL2028040 | Plasmodium falciparum | 3 |
| - | 10.6019/CHEMBL2094260 | Mycobacterium tuberculosis | 2 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 2 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 2 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 2 |
| - | 10.6019/CHEMBL3301451 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3301458 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| - | 10.6019/CHEMBL2028040 | Trypanosoma brucei brucei | 1 |
| - | 10.6019/CHEMBL2448809 | Plasmodium falciparum | 1 |
| - | 10.6019/CHEMBL3137356 | Cryptosporidium parvum | 1 |
| - | 10.6019/CHEMBL2028040 | Leishmania infantum | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine