Compound Detail

CHEMBL4780990

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CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C1=CC(=O)OC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4780990
Phase	Preclinical
Structure Type	MOL
InChI Key	YGIYZBOXLDREOI-SYGKSOGRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

546.8

MW (Da)

First in Class Prodrug

Molecular Formula	C31H50O6Si
MW	546.82

IC50 4 meas. best 4.97

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
BJ CHEMBL614358	IC50	4.97	4.97	10600.0	1
CCRF-CEM CHEMBL382	IC50	4.76	4.76	17300.0	1
MCF7 CHEMBL387	IC50	4.69	4.69	20300.0	1
HeLa CHEMBL399	IC50	4.47	4.47	34100.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
BJ	IC50	=	10600.0	nM	4.97	Cytotoxicity against human BJ cells assessed as reduction in cell viability incu...	32645647
CCRF-CEM	IC50	=	17300.0	nM	4.76	Cytotoxicity against human CEM cells assessed as reduction in cell viability inc...	32645647
MCF7	IC50	=	20300.0	nM	4.69	Cytotoxicity against human MCF7 cells assessed as reduction in cell viability in...	32645647
HeLa	IC50	=	34100.0	nM	4.47	Cytotoxicity against human HeLa cells assessed as reduction in cell viability in...	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