Compound Detail
CHEMBL532141
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Oc1ccc(-c2nc(-c3ccc4oc5ccc(-c6[nH]c(-c7ccc(O)cc7)nc6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL532141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFPPEIQRWSPQQB-UHFFFAOYSA-N |
7
Targets
14
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
636.7
MW (Da)
10.45
ALogP
5
HBA
4
HBD
111.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 7.23
EC50 4 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.23 | 6.2725 | 59.0 | 4 |
| Plasmodium falciparum CHEMBL364 | EC50 | 6.54 | 5.8975 | 285.0 | 4 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.17 | 6.17 | 683.1 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.56 | 5.56 | 2754.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.47 | 5.47 | 3379.4 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.31 | 5.31 | 4911.9 | 1 |
| MRC5 CHEMBL614181 | IC50 | 4.82 | 4.82 | 15244.7 | 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 |
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| - | 10.6019/CHEMBL3137381 | Onchocerca lienalis | 4 |
| - | 10.6019/CHEMBL3301464 | Unchecked | 4 |
| - | 10.6019/CHEMBL3301546 | Saccharomyces cerevisiae | 3 |
| - | 10.6019/CHEMBL2363022 | Schistosoma mansoni | 3 |
| - | 10.6019/CHEMBL2028040 | Plasmodium falciparum | 3 |
| - | 10.6019/CHEMBL3301451 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3301458 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 2 |
| - | 10.6019/CHEMBL2094260 | Mycobacterium tuberculosis | 2 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 2 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 2 |
| 20485428 | 10.1038/nature09099 | Plasmodium falciparum | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL2028040 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL2028040 | MRC5 | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine