Compound Detail

CHEMBL505690

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CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C/c3ccccc3)[C@@]3(C)[C@]4(O)CC[C@]3(O)C(C)=O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@H]2C[C@@H](OC)[C@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL505690
Phase	Preclinical
Structure Type	MOL
InChI Key	SCXRZABOQTXWKZ-VYQYAHJJSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1267.4

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C63H94O26
MW	1267.42

Activity Summary

IC50 3 meas. best 7.19

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
J774.A1 CHEMBL614040	IC50	7.19	7.19	64.0	1
HEK293 CHEMBL614818	IC50	6.46	6.46	350.0	1
WEHI-164 CHEMBL614227	IC50	6.42	6.42	380.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
J774.A1	IC50	=	64.0	nM	7.19	Antiproliferative activity against mouse J774.A1 cells after 3 days by MTT conve...	16643040
HEK293	IC50	=	350.0	nM	6.46	Antiproliferative activity against HEK293 cells after 3 days by MTT conversion a...	16643040
WEHI-164	IC50	=	380.0	nM	6.42	Antiproliferative activity against mouse WEHI164 cells after 3 days by MTT conve...	16643040

Literature References

PubMed	DOI	Target Context	# Activities
16643040	10.1021/np050493r	HEK293	1
16643040	10.1021/np050493r	WEHI-164	1
16643040	10.1021/np050493r	J774.A1	1

Data from ChEMBL 36 via Core Engine