Compound Detail

CHEMBL4217759

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C[C@H]1[C@H](OC(=O)CCC(=O)NCCCN(CCCCCCCCCCN(CCCNC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)C(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)C(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4217759
Phase	Preclinical
Structure Type	MOL
InChI Key	KAQFGZWTOSEAOA-NGBXHSNTSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1752.2

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C92H142N4O28
MW	1752.15

Activity Summary

IC50 3 meas. best 9.22

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasmodium falciparum CHEMBL364	IC50	9.22	9.09	0.6	2
L6 CHEMBL614793	IC50	6.31	6.31	490.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Plasmodium falciparum	IC50	=	0.6	nM	9.22	Antiplasmodial activity against chloroquine sensitive Plasmodium falciparum NF54...	28988153
Plasmodium falciparum	IC50	=	1.1	nM	8.96	Antiplasmodial activity against chloroquine and pyrimethamine resistant Plasmodi...	28988153
L6	IC50	=	490.0	nM	6.31	Cytotoxicity in rat L6 cells assessed as reduction in cell viability incubated f...	28988153

Literature References

PubMed	DOI	Target Context	# Activities
28988153	10.1016/j.ejmech.2017.09.040	Plasmodium falciparum	2
28988153	10.1016/j.ejmech.2017.09.040	L6	1
28988153	10.1016/j.ejmech.2017.09.040	Unchecked	1

Data from ChEMBL 36 via Core Engine