Pixantrone (CED0011818)

Record Information

Version

1.0

Creation Date

2026-04-05 11:16:26 UTC

Update Date

2026-08-19 20:19:25 UTC

Accession Number

CHEM099868

Identification

Common Name

Pixantrone

Class

Small Molecule

Description

Pixantrone is an organic compound with the formula C17H19N5O2 and an average molecular weight of 325.37 g/mol. Pixantrone belongs to the isoquinoline quinones, a subclass of isoquinolines and derivatives within the organic compounds. Used as an antineoplastic agent within healthcare, pharmaceuticals, and veterinary products, the compound is administered via intravenous exposure. Pixantrone acts on two recorded protein targets, serving as a modulator of DNA topoisomerase 2-alpha (TOP2A) and DNA topoisomerase 2-beta (TOP2B).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₇H₁₉N₅O₂

Average Molecular Mass

325.372 g/mol

Monoisotopic Mass

325.154 g/mol

CAS Registry Number

144510-96-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

NCCNC1=C2C(=O)C3=C(C=NC=C3)C(=O)C2=C(NCCN)C=C1

InChI Identifier

InChI=1S/C17H19N5O2/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24/h1-3,6,9,21-22H,4-5,7-8,18-19H2

InChI Key

PEZPMAYDXJQYRV-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-000y-4190000000-c2963394212ecd4f0fcc	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-056r-2049000000-f0e1a59e769ca5187df6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9073000000-7b5ca1c706a7a1876075	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9270000000-7d5da6e56966c64c3a6a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-1029000000-827b0bab2b9b476461c0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-2189000000-4de889808233542202c0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0pbl-5090000000-8fb86cd110e4e4d80392	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
230.0	Log mg/kg	[130:410]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
358	Antineoplastic agents	Healthcare, pharmaceuticals & veterinary products	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available

Pathways

2 pathways

Pixantrone Drug Metabolism Action Pathway

Pixantrone Predicted Metabolism Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Protein kinase C eta type	P24723	Humans	Predicted (SEA)	194.779
Click to view 3D structure	Cytochrome P450 2C8	P10632	Humans	Predicted (SEA)	330.548
Click to view 3D structure	Protein kinase C beta type	P05771	Humans	Predicted (SEA)	138.338
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	2415.97
Click to view 3D structure	Casein kinase I isoform alpha	P48729	Humans	Predicted (SEA)	1500.39
Click to view 3D structure	P2Y purinoceptor 12	Q9H244	Humans	Predicted (SEA)	39.5474
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	3456.74
Click to view 3D structure	Serine/threonine-protein kinase N2	Q16513	Humans	Predicted (SEA)	1571.15
Click to view 3D structure	Tyrosine-protein kinase BTK	Q06187	Humans	Predicted (SEA)	2056.15
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	2638.39
Click to view 3D structure	Tyrosine-protein kinase Fyn	P06241	Humans	Predicted (SEA)	2054.44
Click to view 3D structure	Receptor tyrosine-protein kinase erbB-2	P04626	Humans	Predicted (SEA)	1934.32
Click to view 3D structure	Casein kinase I isoform delta	P81123	Oryctolagus cuniculus	Predicted (SEA)	0.233548
Click to view 3D structure	Primary amine oxidase	Q43077	Pisum sativum	Predicted (SEA)	0.155698
Click to view 3D structure	Protein kinase C delta type	Q05655	Humans	Predicted (SEA)	815.86
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	837.268
Click to view 3D structure	Cytochrome P450 2A6	P11509	Humans	Predicted (SEA)	18.061
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	1074.71
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	1272.45
Click to view 3D structure	Cytochrome P450 2B6	P20813	Humans	Predicted (SEA)	61.1895
Click to view 3D structure	Protein kinase C alpha type	P17252	Humans	Predicted (SEA)	263.753
Click to view 3D structure	Protein kinase C theta type	Q04759	Humans	Predicted (SEA)	573.593
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	985.26
Click to view 3D structure	Cytochrome P450 2E1	P05181	Humans	Predicted (SEA)	8.79696
Click to view 3D structure	Protein kinase C epsilon type	Q02156	Humans	Predicted (SEA)	267.023