Compound Detail

CHEMBL4799067

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CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccoc4)[C@@H](O)[C@H]4O[C@]342)C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4799067
Phase	Preclinical
Structure Type	MOL
InChI Key	AJOQEQGWJGTCTN-OLLLKUTPSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

486.8

MW (Da)

First in Class Prodrug

Molecular Formula	C29H46O4Si
MW	486.77

IC50 4 meas. best 4.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
MCF7 CHEMBL387	IC50	4.85	4.85	14000.0	1
BJ CHEMBL614358	IC50	4.79	4.79	16300.0	1
HeLa CHEMBL399	IC50	4.49	4.49	32300.0	1
CCRF-CEM CHEMBL382	IC50	4.46	4.46	34700.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
MCF7	IC50	=	14000.0	nM	4.85	Cytotoxicity against human MCF7 cells assessed as reduction in cell viability in...	32645647
BJ	IC50	=	16300.0	nM	4.79	Cytotoxicity against human BJ cells assessed as reduction in cell viability incu...	32645647
HeLa	IC50	=	32300.0	nM	4.49	Cytotoxicity against human HeLa cells assessed as reduction in cell viability in...	32645647
CCRF-CEM	IC50	=	34700.0	nM	4.46	Cytotoxicity against human CEM cells assessed as reduction in cell viability inc...	32645647

PubMed	DOI	Target Context	# Activities
32645647	10.1016/j.ejmech.2020.112520	CCRF-CEM	1
32645647	10.1016/j.ejmech.2020.112520	MCF7	1
32645647	10.1016/j.ejmech.2020.112520	HeLa	1
32645647	10.1016/j.ejmech.2020.112520	BJ	1
32645647	10.1016/j.ejmech.2020.112520	Unchecked	1

Data from ChEMBL 36 via Core Engine