Compound Detail

CHEMBL44083

BIS(ETHYL)NORSPERMINE

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ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL44083
Name	BIS(ETHYL)NORSPERMINE
Phase	Preclinical
Structure Type	MOL
InChI Key	UMJJGDUYVQCBMC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

244.4

MW (Da)

0.55

ALogP

HBA

HBD

48.1

PSA (Å²)

0.34

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 9 meas. best 6.7

Ki 6 meas. best 5.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
L1210 CHEMBL386	IC50	6.7	5.5571	200.0	7
Malme-3M CHEMBL614021	IC50	6.7	6.7	200.0	1
Jurkat CHEMBL397	IC50	6.19	6.19	650.0	1
L1210 CHEMBL386	Ki	5.16	4.848	7000.0	5
Jurkat CHEMBL397	Ki	4.84	4.84	14400.0	1

Parameter	Value	Units	Species
T1/2	1.217	hr	-

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
L1210	IC50	=	200.0	nM	6.7	Antitumor activity against mouse L1210 cells	19534534
Malme-3M	IC50	=	200.0	nM	6.7	Antitumor activity against human MALME-3M cells	19534534
Jurkat	IC50	=	650.0	nM	6.19	inhibitory activity against growth of JURKAT cells after 144h.	9748365
L1210	IC50	=	2000.0	nM	5.7	In vitro inhibition of L1210 growth after 96 hours.	7932575
L1210	IC50	=	2000.0	nM	5.7	Inhibitory concentration of compound against the growth of the L1210 cell line a...	11448227
L1210	IC50	=	2000.0	nM	5.7	Growth inhibition of L1210 cells was measured in the presence of nine different ...	10649978
L1210	IC50	=	2000.0	nM	5.7	inhibitory activity against growth of L1210 cells.	9748365
L1210	Ki	=	7000.0	nM	5.16	Inhibition of transport of [3H]spermidine in L1210 cells	11448227
Jurkat	Ki	=	14400.0	nM	4.84	competitive inhibition of [3H]SPD transport by JURKAT cells	9748365
L1210	Ki	=	17000.0	nM	4.77	Inhibition of radiolabeled spermidine uptake into L1210 cells in vitro.	7932575
L1210	Ki	=	17000.0	nM	4.77	Ki was estimated by competitive inhibition of [3H]SPD transport by L1210 cells	10649978
L1210	Ki	=	17000.0	nM	4.77	Activity of compound measured against L1210 cells	9748365
L1210	Ki	=	17000.0	nM	4.77	Ability to competitively inhibit uptake of radiolabeled spermidine in L1210 cell...	8691443
L1210	IC50	=	20000.0	nM	4.7	Inhibitory concentration of compound against the growth of the L1210 cell line a...	11448227
L1210	IC50	=	20000.0	nM	4.7	Growth inhibition of L1210 cells was measured in the presence of nine different ...	10649978

PubMed	DOI	Target Context	# Activities
9748365	10.1021/jm980390o	Jurkat	12
11448227	10.1021/jm000532q	L1210	11
7932575	10.1021/jm00047a004	L1210	11
10649978	10.1021/jm990375z	L1210	9
11141084	10.1021/jm000084m	NCI-H157	9
11412992	10.1016/s0960-894x(01)00315-8	Trypanosoma brucei	8
9748365	10.1021/jm980390o	L1210	7
8978854	10.1021/jm960545x	ADMET	4
23887056	10.1016/j.ejmech.2013.06.044	HeLa	3
11448227	10.1021/jm000532q	Unchecked	3
10649978	10.1021/jm990375z	Ornithine decarboxylase	1
36399911	10.1016/j.bmc.2022.117089	Unchecked	1
11141084	10.1021/jm000084m	Diamine acetyltransferase 1	1
11141084	10.1021/jm000084m	NCH82	1
10649978	10.1021/jm990375z	Unchecked	1
10649978	10.1021/jm990375z	S-adenosylmethionine decarboxylase proenzyme	1
11448227	10.1021/jm000532q	Spermidine/spermine N(1)-acetyltransferase (SAT)	1
11448227	10.1021/jm000532q	Ornithine decarboxylase	1
7932575	10.1021/jm00047a004	Spermidine/spermine N(1)-acetyltransferase (SAT)	1
7932575	10.1021/jm00047a004	S-adenosylmethionine decarboxylase proenzyme 1	1

Data from ChEMBL 36 via Core Engine