Compound Detail

CHEMBL4082065

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C=C1/C=C/C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4082065
Phase	Preclinical
Structure Type	MOL
InChI Key	JZTIHGYKMIPWKD-PLEQCSMWSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

718.0

MW (Da)

First in Class Prodrug

Molecular Formula	C41H59N3O6Si
MW	718.02

IC50 3 meas. best 5.64

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
K562 CHEMBL385	IC50	5.64	5.64	2310.0	1
MCF7 CHEMBL387	IC50	5.46	5.395	3490.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
K562	IC50	=	2310.0	nM	5.64	Cytotoxicity against human K562 cells measured after 72 hrs by MTT assay	28075592
MCF7	IC50	=	3490.0	nM	5.46	Cytotoxicity against human MCF7 cells incubated for 72 hrs under normoxic condit...	28075592
MCF7	IC50	=	4690.0	nM	5.33	Cytotoxicity against human MCF7 cells incubated for 72 hrs under hypoxic conditi...	28075592

PubMed	DOI	Target Context	# Activities
28075592	10.1021/acs.jmedchem.6b01745	MCF7	3
28075592	10.1021/acs.jmedchem.6b01745	K562	2
28075592	10.1021/acs.jmedchem.6b01745	No relevant target	1

Data from ChEMBL 36 via Core Engine