Compound Detail

CHEMBL351244

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CN(C)CCNC(=O)c1cccc2nc3ccc4[nH]cnc4c3nc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL351244
Phase	Preclinical
Structure Type	MOL
InChI Key	LZNAXHHLXXSVCV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

334.4

MW (Da)

1.95

ALogP

HBA

HBD

86.8

PSA (Å²)

0.56

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 8.28

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NCI-H69 CHEMBL614805	IC50	8.28	7.51	5.2	2
Lewis lung carcinoma cell line CHEMBL614088	IC50	7.39	7.39	41.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	6.8	6.8	159.0	1
P388 CHEMBL389	IC50	6.52	6.52	300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NCI-H69	IC50	=	5.2	nM	8.28	Inhibitory activity against drug resistant H69/LX4 line overexpressing P-glycopr...	11806725
Lewis lung carcinoma cell line	IC50	=	41.0	nM	7.39	Inhibitory concentration to reduce cell number to 50% in a panel of cultured, mu...	11806725
NON-PROTEIN TARGET	IC50	=	159.0	nM	6.8	Inhibitory concentration to reduce cell number to 50% in a panel of cultured, wi...	11806725
NCI-H69	IC50	=	183.0	nM	6.74	Inhibitory activity against parental human small cell lung carcinoma cell line (...	11806725
P388	IC50	=	300.0	nM	6.52	Inhibitory activity against murine P388 leukemia (P388) cells.	11806725

PubMed	DOI	Target Context	# Activities
11806725	10.1021/jm010330+	Unchecked	2
11806725	10.1021/jm010330+	NCI-H69	2
11806725	10.1021/jm010330+	P388	1
11806725	10.1021/jm010330+	Lewis lung carcinoma cell line	1
11806725	10.1021/jm010330+	NON-PROTEIN TARGET	1

Data from ChEMBL 36 via Core Engine