Compound Detail

CHEMBL3086650

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CC[C@@H]1[C@@H](C)O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]3(O)C[C@@H](O[C@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](C)[C@@H](C)O3)OC(=O)/C=C/C=C/[C@@H]2C)C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3086650
Phase	Preclinical
Structure Type	MOL
InChI Key	SGWODLSBUBNJEQ-JGHNYVBJSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1011.2

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C53H86O18
MW	1011.25

Activity Summary

IC50 2 meas. best 6.72

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
MCF7 CHEMBL387	IC50	6.72	6.72	190.0	1
HeLa CHEMBL399	IC50	6.72	6.72	190.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
MCF7	IC50	=	190.0	nM	6.72	Cytotoxicity against human MCF7 cells assessed as cell growth inhibition	35063731
HeLa	IC50	=	190.0	nM	6.72	Cytotoxicity against human HeLa cells assessed as cell growth inhibition	35063731

Literature References

PubMed	DOI	Target Context	# Activities
24164206	10.1021/np4006794	Staphylococcus aureus	6
24164206	10.1021/np4006794	Enterococcus faecalis	5
24164206	10.1021/np4006794	Staphylococcus epidermidis	3
24164206	10.1021/np4006794	Klebsiella pneumoniae	2
24164206	10.1021/np4006794	Escherichia coli	2
24164206	10.1021/np4006794	Enterococcus faecium	2
24164206	10.1021/np4006794	Morganella morganii	1
24164206	10.1021/np4006794	Pseudomonas aeruginosa	1
24164206	10.1021/np4006794	Micrococcus luteus	1
35063731	10.1016/j.ejmech.2022.114117	MCF7	1
35063731	10.1016/j.ejmech.2022.114117	HeLa	1

Data from ChEMBL 36 via Core Engine