Compound Detail

CHEMBL4084181

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COc1ccc(C(=O)c2cc(OC)c(OC)c([Se]C)c2)cc1Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4084181
Phase	Preclinical
Structure Type	MOL
InChI Key	DHSIKWFRZJXTHI-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

399.7

MW (Da)

First in Class Prodrug

Molecular Formula	C17H17ClO4Se
MW	399.73

IC50 5 meas. best 6.72

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
LoVo CHEMBL614721	IC50	6.72	6.72	189.0	1
RKO CHEMBL614879	IC50	6.6	6.6	253.0	1
MDA-MB-231 CHEMBL400	IC50	6.06	6.06	865.0	1
A549 CHEMBL392	IC50	6.02	6.02	949.0	1
HepG2 CHEMBL395	IC50	5.81	5.81	1534.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
LoVo	IC50	=	189.0	nM	6.72	Antiproliferative activity against human LoVo cells after 48 hrs by MTT assay	28792756
RKO	IC50	=	253.0	nM	6.6	Antiproliferative activity against human RKO cells after 48 hrs by MTT assay	28792756
MDA-MB-231	IC50	=	865.0	nM	6.06	Antiproliferative activity against human MDA-MB-231 cells after 48 hrs by MTT as...	28792756
A549	IC50	=	949.0	nM	6.02	Antiproliferative activity against human A549 cells after 48 hrs by MTT assay	28792756
HepG2	IC50	=	1534.0	nM	5.81	Antiproliferative activity against human HepG2 cells after 48 hrs by MTT assay	28792756

PubMed	DOI	Target Context	# Activities
28792756	10.1021/acs.jmedchem.7b00480	HepG2	1
28792756	10.1021/acs.jmedchem.7b00480	LoVo	1
28792756	10.1021/acs.jmedchem.7b00480	RKO	1
28792756	10.1021/acs.jmedchem.7b00480	MDA-MB-231	1
28792756	10.1021/acs.jmedchem.7b00480	A549	1

Data from ChEMBL 36 via Core Engine