Compound Detail

CHEMBL4092284

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Cc1nc(N(C)c2ccc([Se]C#N)c(F)c2)c2ccccc2n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4092284
Phase	Preclinical
Structure Type	MOL
InChI Key	IMOHVAKEZKXMOI-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

371.3

MW (Da)

First in Class Prodrug

Molecular Formula	C17H13FN4Se
MW	371.28

IC50 6 meas. best 8.4

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
A549 CHEMBL392	IC50	8.4	8.4	4.0	1
MDA-MB-231 CHEMBL400	IC50	8.22	8.22	6.0	1
RKO CHEMBL614879	IC50	8.1	8.1	8.0	1
LoVo CHEMBL614721	IC50	7.89	7.89	13.0	1
HCT-116 CHEMBL394	IC50	7.7	7.7	20.0	1
HepG2 CHEMBL395	IC50	7.43	7.43	37.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
A549	IC50	=	4.0	nM	8.4	Growth inhibition of human A549 cells after 48 hrs by MTT assay	29509413
MDA-MB-231	IC50	=	6.0	nM	8.22	Growth inhibition of human MDA-MB-231 cells after 48 hrs by MTT assay	29509413
RKO	IC50	=	8.0	nM	8.1	Growth inhibition of human RKO cells after 48 hrs by MTT assay	29509413
LoVo	IC50	=	13.0	nM	7.89	Growth inhibition of human LoVo cells after 48 hrs by MTT assay	29509413
HCT-116	IC50	=	20.0	nM	7.7	Growth inhibition of human HCT116 cells after 48 hrs by MTT assay	29509413
HepG2	IC50	=	37.0	nM	7.43	Growth inhibition of human HepG2 cells after 48 hrs by MTT assay	29509413

PubMed	DOI	Target Context	# Activities
29509413	10.1021/acs.jmedchem.8b00128	A549	1
29509413	10.1021/acs.jmedchem.8b00128	HCT-116	1
29509413	10.1021/acs.jmedchem.8b00128	HepG2	1
29509413	10.1021/acs.jmedchem.8b00128	MDA-MB-231	1
29509413	10.1021/acs.jmedchem.8b00128	LoVo	1
29509413	10.1021/acs.jmedchem.8b00128	RKO	1

Data from ChEMBL 36 via Core Engine