Compound Detail
CHEMBL2028055
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Basic Information
| ChEMBL ID | CHEMBL2028055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZZGEZJZTYYZGG-UHFFFAOYSA-N |
6
Targets
14
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
317.8
MW (Da)
3.52
ALogP
4
HBA
2
HBD
56.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 6.58
EC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.58 | 6.414 | 266.0 | 5 |
| Plasmodium falciparum CHEMBL364 | EC50 | 6.39 | 6.39 | 406.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.58 | 5.1475 | 2640.0 | 4 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.43 | 5.43 | 3735.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.39 | 5.39 | 4086.7 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.97 | 4.97 | 10726.3 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 4.79 | 4.79 | 16227.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
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/CHEMBL3137381 | Onchocerca lienalis | 4 |
| - | 10.6019/CHEMBL3301464 | Unchecked | 4 |
| - | 10.6019/CHEMBL3301550 | Plasmodium falciparum | 4 |
| - | 10.6019/CHEMBL2363022 | Schistosoma mansoni | 3 |
| - | 10.6019/CHEMBL3301546 | Saccharomyces cerevisiae | 3 |
| - | 10.6019/CHEMBL2094260 | Mycobacterium tuberculosis | 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/CHEMBL3137356 | Cryptosporidium parvum | 1 |
| - | 10.6019/CHEMBL2028040 | Leishmania infantum | 1 |
| - | 10.6019/CHEMBL3301448 | Entamoeba histolytica | 1 |
| - | 10.6019/CHEMBL3301448 | Toxoplasma gondii | 1 |
| - | 10.6019/CHEMBL3301451 | Plasmodium berghei | 1 |
| - | 10.6019/CHEMBL2028040 | Trypanosoma brucei brucei | 1 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| - | 10.6019/CHEMBL2028040 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine