Compound Detail
CHEMBL530973
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Basic Information
| ChEMBL ID | CHEMBL530973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHYOLZRPLFWQHQ-UHFFFAOYSA-N |
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
456.5
MW (Da)
4.03
ALogP
7
HBA
0
HBD
70.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.57
IC50 4 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.57 | 6.9025 | 26.7 | 4 |
| Plasmodium yoelii CHEMBL612889 | IC50 | 7.38 | 7.38 | 42.1 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.35 | 6.96 | 45.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 26.74 | nM | 7.57 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
| Plasmodium yoelii | IC50 | = | 42.1 | nM | 7.38 | NOVARTIS: Antimalarial liver stage activity measured as reduction in Plasmodium ... | 22096101 |
| Plasmodium falciparum | IC50 | = | 44.95 | nM | 7.35 | MMV: P. falciparum NF54 functionally mature Stage V gametocytes were incubated f... | - |
| Plasmodium falciparum | IC50 | = | 85.0 | nM | 7.07 | MMV: Modified 3H-Hyoxanthine uptake assay; 1% O2, 5% CO2 in N2. | - |
| Plasmodium falciparum | EC50 | = | 103.1 | nM | 6.99 | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... | 18579783 |
| Plasmodium falciparum | EC50 | = | 205.0 | nM | 6.69 | MMV: Inhibition of Plasmodium falciparum 3D7 (EC50). | - |
| Plasmodium falciparum | IC50 | = | 345.0 | nM | 6.46 | MMV: 3H-Hyoxanthine uptake assay; 5% O2, 5% CO2 in N2. | - |
| Plasmodium falciparum | EC50 | = | 436.0 | nM | 6.36 | MMV: Inhibition of Plasmodium falciparum K1 (EC50). | - |
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/CHEMBL3301451 | Plasmodium falciparum | 4 |
| - | 10.6019/CHEMBL3137381 | Onchocerca lienalis | 4 |
| 22096101 | 10.1126/science.1211936 | Plasmodium yoelii | 3 |
| - | 10.6019/CHEMBL2028040 | Plasmodium falciparum | 3 |
| - | 10.6019/CHEMBL3301546 | Saccharomyces cerevisiae | 3 |
| - | 10.6019/CHEMBL2363022 | Schistosoma mansoni | 3 |
| - | 10.6019/CHEMBL2094260 | Mycobacterium tuberculosis | 2 |
| - | 10.6019/CHEMBL3301458 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL3301550 | Plasmodium falciparum | 2 |
| - | 10.6019/CHEMBL2448809 | Plasmodium falciparum | 1 |
| - | 10.6019/CHEMBL3137356 | Cryptosporidium parvum | 1 |
| - | 10.6019/CHEMBL2028040 | Trypanosoma brucei rhodesiense | 1 |
| - | 10.6019/CHEMBL2028040 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| - | 10.6019/CHEMBL2028040 | Leishmania infantum | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine