Compound Detail

CHEMBL371814

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NCCCNCCCN1CCCCCCCCCCCCCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL371814
Phase	Preclinical
Structure Type	MOL
InChI Key	KZRLDBALULPSRS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

325.6

MW (Da)

4.31

ALogP

HBA

HBD

41.3

PSA (Å²)

0.69

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 3 meas. best 5.52

Ki 1 meas. best 5.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
L1210 CHEMBL386	IC50	5.52	5.52	3000.0	1
L1210 CHEMBL386	Ki	5.0	5.0	9900.0	1
CHO-MG CHEMBL614558	IC50	5.0	5.0	10000.0	1
CHO CHEMBL613853	IC50	4.98	4.98	10500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
L1210	IC50	=	3000.0	nM	5.52	Inhibition of murine L1210 leukemia cell proliferation, high polyamine transport...	15916435
CHO-MG	IC50	=	10000.0	nM	5.0	Inhibition of MGBG-resistant CHO-MG cell proliferation, no polyamine transporter...	15916435
L1210	Ki	=	9900.0	nM	5.0	Affinity for cellular polyamine transporter system as inhibition [14C]spermidine...	15916435
CHO	IC50	=	10500.0	nM	4.98	Inhibition of chinese hamster ovary cell proliferation, high polyamine transport...	15916435

PubMed	DOI	Target Context	# Activities
15916435	10.1021/jm0491288	L1210	2
15916435	10.1021/jm0491288	CHO-MG	2
15916435	10.1021/jm0491288	CHO	1

Data from ChEMBL 36 via Core Engine