Compound Detail

CHEMBL4462031

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CC1=C(CO[Si](C)(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4462031
Phase	Preclinical
Structure Type	MOL
InChI Key	XYHDTZUJKLKWIA-OGCYSDDVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

540.8

MW (Da)

First in Class Prodrug

Molecular Formula	C31H44O6Si
MW	540.77

IC50 3 meas. best 7.39

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
A2780 CHEMBL614004	IC50	7.39	7.39	41.0	1
Unchecked CHEMBL612545	IC50	7.16	7.16	68.8	1
ARPE-19 CHEMBL4296399	IC50	6.09	6.09	820.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
A2780	IC50	=	41.0	nM	7.39	Antiproliferative activity against cisplatin-sensitive human A2780 cells measure...	31008605
Unchecked	IC50	=	68.8	nM	7.16	Antiproliferative activity against cisplatin-resistant human A2780/CP70 cells me...	31008605
ARPE-19	IC50	=	820.0	nM	6.09	Cytotoxicity against human ARPE19 cells measured after 96 hrs by MTT assay	31008605

PubMed	DOI	Target Context	# Activities
31008605	10.1021/acs.jmedchem.9b00146	Unchecked	3
31008605	10.1021/acs.jmedchem.9b00146	A2780	1
31008605	10.1021/acs.jmedchem.9b00146	ARPE-19	1

Data from ChEMBL 36 via Core Engine