Compound Detail

CHEMBL507138

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Free Research Context This compound will appear in recent viewed items on the research home for this browser.

C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](OC[C@H]4O[C@@H](OC(=O)[C@]56CCC(C)(C)C[C@H]5C5=CC[C@@H]7[C@@]8(C)CC[C@H](O[C@H]9OC[C@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)[C@H]9O)C(C)(C)[C@@H]8CC[C@@]7(C)[C@]5(C)C[C@H]6O)[C@H](O)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL507138
Phase	Preclinical
Structure Type	MOL
InChI Key	XDLYKSGQBSIRPC-VRGZMBMOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1561.7

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C71H116O37
MW	1561.67

Activity Summary

IC50 3 meas. best 6.5

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
J774.A1 CHEMBL614040	IC50	6.5	6.5	320.0	1
HEK293 CHEMBL614818	IC50	5.89	5.89	1300.0	1
WEHI-164 CHEMBL614227	IC50	5.77	5.77	1700.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
J774.A1	IC50	=	320.0	nM	6.5	Antiproliferative activity against mouse J774.A1 cells after 72 hrs by MTT conve...	18442289
HEK293	IC50	=	1300.0	nM	5.89	Antiproliferative activity against human HEK293 cells after 72 hrs by MTT conver...	18442289
WEHI-164	IC50	=	1700.0	nM	5.77	Antiproliferative activity against mouse WEHI164 cells after 72 hrs by MTT conve...	18442289

Literature References

PubMed	DOI	Target Context	# Activities
18442289	10.1021/np8000464	J774.A1	1
18442289	10.1021/np8000464	HEK293	1
18442289	10.1021/np8000464	WEHI-164	1

Data from ChEMBL 36 via Core Engine