Compound Detail

CHEMBL28489

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NCCCNCCCCCCCCNCCCN

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL28489
Phase	Preclinical
Structure Type	MOL
InChI Key	RUGADNXSCZSZJP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

258.4

MW (Da)

1.20

ALogP

HBA

HBD

76.1

PSA (Å²)

0.33

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 5.42

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Nucleic Acid CHEMBL345	IC50	5.42	5.265	3800.0	2
Calf thymus DNA CHEMBL612514	IC50	5.31	5.31	4900.0	1
HeLa CHEMBL399	IC50	5.3	4.59	5000.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Nucleic Acid	IC50	=	3800.0	nM	5.42	Ability to displace ethidium bromide from double stranded synthetic poly (dG-dC)	1875339
Calf thymus DNA	IC50	=	4900.0	nM	5.31	Ability to displace ethidium bromide from calf thymus DNA	1875339
HeLa	IC50	=	5000.0	nM	5.3	Antiproliferative activity against human HeLa cells	19534534
Nucleic Acid	IC50	=	7800.0	nM	5.11	Ability to displace ethidium bromide from double stranded synthetic Poly (dA-dT)	1875339
HeLa	IC50	=	35000.0	nM	4.46	Ability to cause aggregation of purified HeLa cell DNA	1875339
HeLa	IC50	=	50000.0	nM	4.3	Compound was evaluated for its ability to inhibit proliferation of HeLa cells	11141084
HeLa	IC50	=	50000.0	nM	4.3	Ability to inhibit 50% growth of HeLa cells	1875339

PubMed	DOI	Target Context	# Activities
1875339	10.1021/jm00112a016	Nucleic Acid	2
1875339	10.1021/jm00112a016	HeLa	2
11141084	10.1021/jm000084m	HeLa	1
1875339	10.1021/jm00112a016	Calf thymus DNA	1
19534534	10.1021/jm900187v	HeLa	1

Data from ChEMBL 36 via Core Engine