Compound Detail

CHEMBL501032

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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]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O)C(C)(C)[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	CHEMBL501032
Phase	Preclinical
Structure Type	MOL
InChI Key	AGNAAINECZAUIZ-TZKIKZJCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1367.5

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C65H106O30
MW	1367.53

Activity Summary

IC50 2 meas. best 6.28

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
HEK293 CHEMBL614818	IC50	6.28	6.28	520.0	1
WEHI-164 CHEMBL614227	IC50	5.75	5.75	1800.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
HEK293	IC50	=	520.0	nM	6.28	Antiproliferative activity against HEK293 cells assessed as reduction of cell gr...	10757708
WEHI-164	IC50	=	1800.0	nM	5.75	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