Compound Detail

CHEMBL18111

Enter ChEMBL ID:

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

CCCNCCCNCCCCNCCCNCCC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL18111
Phase	Preclinical
Structure Type	MOL
InChI Key	DEPAUFDLCOSVPH-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

286.5

MW (Da)

1.73

ALogP

HBA

HBD

48.1

PSA (Å²)

0.31

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.7

Ki 2 meas. best 5.64

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
L1210 CHEMBL386	IC50	6.7	6.11	200.0	4
L1210 CHEMBL386	Ki	5.64	5.64	2300.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
L1210	IC50	=	200.0	nM	6.7	In vitro inhibition of L1210 growth after 96 hours.	7932575
L1210	IC50	=	200.0	nM	6.7	Tested for inhibition of L1210 cell growth by the compound after 96 hr	3373487
L1210	Ki	=	2300.0	nM	5.64	Inhibition of radiolabeled spermidine uptake into L1210 cells in vitro.	7932575
L1210	Ki	=	2300.0	nM	5.64	In vitro inhibition of uptake [3H]-spermidine in L1210 (murine leukemia) cells.	8691443
L1210	IC50	=	3000.0	nM	5.52	In vitro inhibition of L1210 growth after 48 hours.	7932575
L1210	IC50	=	3000.0	nM	5.52	Tested for inhibition of L1210 cell growth by the compound after 48 hr	3373487

PubMed	DOI	Target Context	# Activities
11170633	10.1021/jm000277+	Rattus norvegicus	14
7932575	10.1021/jm00047a004	L1210	11
3373487	10.1021/jm00401a019	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
8691443	10.1021/jm950827h	L1210	1

Data from ChEMBL 36 via Core Engine