Compound Detail

CHEMBL451591

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C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@H](C)[C@@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL451591
Phase	Preclinical
Structure Type	MOL
InChI Key	RYHDIBJJJRNDSX-WHGXSBMGSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1221.4

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C59H96O26
MW	1221.39

Activity Summary

IC50 2 meas. best 6.34

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
J774 CHEMBL614123	IC50	6.34	6.34	460.0	1
WEHI-164 CHEMBL614227	IC50	5.72	5.72	1900.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
J774	IC50	=	460.0	nM	6.34	Antiproliferative activity against mouse J774 cells assessed as reduction of cel...	10757708
WEHI-164	IC50	=	1900.0	nM	5.72	Antiproliferative activity against mouse WEHI164 cells assessed as reduction of ...	10757708

Literature References

PubMed	DOI	Target Context	# Activities
10757708	10.1021/np990231n	J774	1
10757708	10.1021/np990231n	HEK293	1
10757708	10.1021/np990231n	WEHI-164	1

Data from ChEMBL 36 via Core Engine