Compound Detail

CHEMBL260931

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CCN(CCCCN)CCCCNCc1c2ccccc2cc2ccccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL260931
Phase	Preclinical
Structure Type	MOL
InChI Key	IQXMRBSNLKAISX-UHFFFAOYSA-N

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 6.06

Ki 1 meas. best 5.26

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
L1210 CHEMBL386	IC50	6.06	6.06	880.0	1
CHO CHEMBL613853	IC50	5.41	5.41	3900.0	1
Unchecked CHEMBL612545	Ki	5.26	5.26	5500.0	1
CHO-MG CHEMBL614558	IC50	5.16	5.16	7000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
L1210	IC50	=	880.0	nM	6.06	Cytotoxicity against mouse L1210 cells after 48 hrs by trypan blue staining meth...	18363351
CHO	IC50	=	3900.0	nM	5.41	Cytotoxicity against CHO cells after 48 hrs by trypan blue staining method	18363351
Unchecked	Ki	=	5500.0	nM	5.26	Inhibition of [14C]SPD uptake at polyamine transporter in mouse L1210 cells	18363351
CHO-MG	IC50	=	7000.0	nM	5.16	Cytotoxicity against polyamine transporter deficient CHO-MG cells after 48 hrs b...	18363351

PubMed	DOI	Target Context	# Activities
18363351	10.1021/jm701341k	CHO-MG	2
18363351	10.1021/jm701341k	L1210	1
18363351	10.1021/jm701341k	Unchecked	1
18363351	10.1021/jm701341k	CHO	1

Data from ChEMBL 36 via Core Engine