Compound Detail

CHEMBL83536

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CCNCCCCNCCCCNCCCCN

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL83536
Phase	Preclinical
Structure Type	MOL
InChI Key	RQWZFADXXDUPPO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

258.4

MW (Da)

1.07

ALogP

HBA

HBD

62.1

PSA (Å²)

0.33

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.77

Ki 3 meas. best 5.96

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
L1210 CHEMBL386	IC50	6.77	5.49	170.0	3
L1210 CHEMBL386	Ki	5.96	5.96	1100.0	2
Unchecked CHEMBL612545	Ki	5.96	5.96	1100.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
L1210	IC50	=	170.0	nM	6.77	In vitro inhibition of L1210 growth after 96 hours.	7932575
L1210	Ki	=	1100.0	nM	5.96	Inhibition of radiolabeled spermidine uptake into L1210 cells in vitro.	7932575
Unchecked	Ki	=	1100.0	nM	5.96	Binding affinity to the mouse polyamine transporter on the L1210 cell surface	12801231
L1210	Ki	=	1100.0	nM	5.96	In vitro inhibition of uptake [3H]-spermidine in L1210 (murine leukemia) cells.	8691443
L1210	IC50	=	14000.0	nM	4.85	In vitro inhibition of L1210 growth after 48 hours.	7932575
L1210	IC50	=	14000.0	nM	4.85	In vitro cytotoxicity against L1210 (murine leukemia) cells.	12801231

PubMed	DOI	Target Context	# Activities
7932575	10.1021/jm00047a004	L1210	11
12801231	10.1021/jm020598g	L1210	2
7932575	10.1021/jm00047a004	Ornithine decarboxylase	1
7932575	10.1021/jm00047a004	S-adenosylmethionine decarboxylase proenzyme 1	1
7932575	10.1021/jm00047a004	Spermidine/spermine N(1)-acetyltransferase (SAT)	1
12801231	10.1021/jm020598g	NON-PROTEIN TARGET	1
12801231	10.1021/jm020598g	Unchecked	1
8691443	10.1021/jm950827h	L1210	1

Data from ChEMBL 36 via Core Engine