Compound Detail
CHEMBL580580
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Basic Information
| ChEMBL ID | CHEMBL580580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URIFTLQWGKMTKA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL532769 |
| Active Moiety | CHEMBL532769 |
8
Targets
13
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
3.26
ALogP
4
HBA
2
HBD
63.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 6.64
EC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.64 | 6.33 | 230.0 | 5 |
| Plasmodium falciparum CHEMBL364 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
| Solute carrier family 2, facilitated glucose transporter member 1 CHEMBL2535 | IC50 | 5.86 | 5.86 | 1383.0 | 1 |
| Hexose transporter 1 CHEMBL4697 | IC50 | 5.85 | 5.85 | 1427.0 | 1 |
| Glucose transporter CHEMBL3431938 | IC50 | 5.65 | 5.65 | 2248.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 5.36 | 5.36 | 4320.2 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.94 | 4.94 | 11380.4 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.94 | 4.94 | 11433.1 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.75 | 4.75 | 17586.1 | 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/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/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/CHEMBL2028040 | Plasmodium falciparum | 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