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Compound Detail

CHEMBL5291480

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C[C@@H]1CC[C@H]2[C@H](C[C@@]3(CCCCCCC[C@]4(C[C@@H]5C(=O)O[C@@H]6O[C@]7(C)CC[C@H]8[C@H](C)CC[C@@H]5[C@@]68OO7)C(=O)O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]4[C@@]57OO6)C(=O)O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4

Basic Information

ChEMBL ID CHEMBL5291480
Phase Preclinical
Structure Type MOL
InChI Key NBJUGGJBVUJNQU-MEAWADIZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1193.4
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C65H92O20
MW 1193.43

Activity Summary

EC50 1 meas. best 8.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
EC50 8.24 8.24 5.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 5.8 nM 8.24 Antimalarial activity against Plasmodium falciparum K1 33508479

Literature References

PubMed DOI Target Context # Activities
33508479 10.1016/j.ejmech.2021.113193 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine