Compound Detail

CHEMBL534925

Enter ChEMBL ID:

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

CCN(CCCCNCCCCN)Cc1c2ccccc2cc2ccccc12.Cl.Cl.Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL534925
Phase	Preclinical
Structure Type	MOL
InChI Key	JOXNXJORNWFLND-UHFFFAOYSA-N
Parent Compound	CHEMBL254003
Active Moiety	CHEMBL254003

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

377.6

MW (Da)

4.92

ALogP

HBA

HBD

41.3

PSA (Å²)

0.35

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 4.66

Ki 1 meas. best 4.61

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
CHO-MG CHEMBL614558	IC50	4.66	4.66	21900.0	1
L1210 CHEMBL386	IC50	4.65	4.65	22200.0	1
CHO CHEMBL613853	IC50	4.65	4.65	22200.0	1
L1210 CHEMBL386	Ki	4.61	4.61	24400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
CHO-MG	IC50	=	21900.0	nM	4.66	Inhibition of MGBG-resistant CHO-MG cell proliferation, no polyamine transporter...	15916435
L1210	IC50	=	22200.0	nM	4.65	Inhibition of murine L1210 leukemia cell proliferation, high polyamine transport...	15916435
CHO	IC50	=	22200.0	nM	4.65	Inhibition of chinese hamster ovary cell proliferation, high polyamine transport...	15916435
L1210	Ki	=	24400.0	nM	4.61	Affinity for cellular polyamine transporter system as inhibition [14C]spermidine...	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