Compound Detail

CHEMBL4081990

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Br.N=C(N)[Se]CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4081990
Phase	Preclinical
Structure Type	MOL
InChI Key	PCAOPNHJGCDIEV-UHFFFAOYSA-N
Parent Compound	CHEMBL4116746
Active Moiety	CHEMBL4116746

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

391.2

MW (Da)

First in Class Prodrug

Molecular Formula	C15H13BrN4O4Se
MW	472.16

IC50 6 meas. best 5.07

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
CHL-1 CHEMBL1075422	IC50	5.07	4.97	8500.0	2
UACC-903 CHEMBL612446	IC50	4.85	4.795	14000.0	2
Unchecked CHEMBL612545	IC50	4.59	4.495	25800.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
CHL-1	IC50	=	8500.0	nM	5.07	Antiproliferative activity against human CHL-1 cells harboring wild type BRAF af...	28458134
CHL-1	IC50	=	13500.0	nM	4.87	Antiproliferative activity against human CHL-1 cells harboring wild type BRAF af...	28458134
UACC-903	IC50	=	14000.0	nM	4.85	Antiproliferative activity against human UACC-903 cells harboring BRAF V600E mut...	28458134
UACC-903	IC50	=	18100.0	nM	4.74	Antiproliferative activity against human UACC-903 cells harboring BRAF V600E mut...	28458134
Unchecked	IC50	=	25800.0	nM	4.59	Antiproliferative activity against human A375M cells harboring BRAF V600E mutant...	28458134
Unchecked	IC50	=	39600.0	nM	4.4	Antiproliferative activity against human 1205 Lu cells harboring BRAF V600E muta...	28458134

PubMed	DOI	Target Context	# Activities
28458134	10.1016/j.ejmech.2017.04.052	Unchecked	6
28458134	10.1016/j.ejmech.2017.04.052	UACC-903	3
28458134	10.1016/j.ejmech.2017.04.052	CHL-1	3

Data from ChEMBL 36 via Core Engine