Compound Detail
CHEMBL524784
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Basic Information
| ChEMBL ID | CHEMBL524784 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAKRPPRRAOYEHH-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
4.24
ALogP
6
HBA
1
HBD
65.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.45
EC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.77 | 6.59 | 170.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.45 | 6.3067 | 351.4 | 3 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.68 | 4.68 | 20950.2 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.61 | 4.61 | 24383.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 170.0 | nM | 6.77 | MMV: Inhibition of Plasmodium falciparum 3D7 (EC50). | - |
| Plasmodium falciparum | IC50 | = | 351.4 | nM | 6.45 | MMV: IC50 determined against P. falciparum Dd2-luc strain using a Malaria Sybr G... | - |
| Plasmodium falciparum | EC50 | = | 388.0 | nM | 6.41 | MMV: Inhibition of Plasmodium falciparum K1 (EC50). | - |
| Plasmodium falciparum | IC50 | = | 431.0 | nM | 6.37 | MMV: Modified 3H-Hyoxanthine uptake assay; 1% O2, 5% CO2 in N2. | - |
| Plasmodium falciparum | IC50 | = | 793.0 | nM | 6.1 | MMV: 3H-Hyoxanthine uptake assay; 5% O2, 5% CO2 in N2. | - |
| Trypanosoma brucei rhodesiense | IC50 | = | 20950.15 | nM | 4.68 | MMV: Inhibition of Trypanosoma brucei rhodesiense (STIB 900) (HAT in vitro). | - |
| Trypanosoma cruzi | IC50 | = | 24383.67 | nM | 4.61 | MMV: Inhibition of Trypanosoma cruzi (Tulahuen C4 LacZ) (Chagas in vitro). | - |
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 | Glucose transporter | 2 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 2 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 2 |
| - | 10.6019/CHEMBL3301451 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3301458 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| - | 10.6019/CHEMBL2028040 | Trypanosoma brucei rhodesiense | 1 |
| - | 10.6019/CHEMBL2448809 | Plasmodium falciparum | 1 |
| - | 10.6019/CHEMBL3137356 | Cryptosporidium parvum | 1 |
| - | 10.6019/CHEMBL2028040 | MRC5 | 1 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine