EcoDrugPlus


Synonyms	BBR 2778 BBR 2778 DIMALEATE BBR-2778 DIMALEATE NSC-752341 Pixantrone dimaleate Pixantrone dimaleate salt Pixantrone maleate Pixuvri
Status
Molecule Category	Mixture
UNII	P0R64C4CR9

Synonyms

BBR 2778

BBR 2778 DIMALEATE

BBR-2778 DIMALEATE

NSC-752341

Pixantrone dimaleate

Pixantrone dimaleate salt

Pixantrone maleate

Pixuvri

Status

Molecule Category

Mixture

UNII

P0R64C4CR9


InChI Key	SVAGFBGXEWPNJC-SPIKMXEPSA-N
Smiles	NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O
InChI	InChI=1S/C17H19N5O2.2C4H4O4/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;25-3(6)1-2-4(7)8/h1-3,6,9,21-22H,4-5,7-8,18-19H2;21-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChI Key

SVAGFBGXEWPNJC-SPIKMXEPSA-N

Smiles

NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O

InChI

InChI=1S/C17H19N5O2.2C4H4O4/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;2*5-3(6)1-2-4(7)8/h1-3,6,9,21-22H,4-5,7-8,18-19H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

Property Name	Value
Molecular Formula	C25H27N5O10
Molecular Weight	557.52
AlogP	0.6
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	6.0
Polar Surface Area	123.13
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C25H27N5O10

Molecular Weight

557.52

AlogP

0.6

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

6.0

Polar Surface Area

123.13

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

24.0

Mechanism of Action	Action	Reference
DNA cross-linking agent	CROSS-LINKING AGENT	PubMed PubMed PubMed

Mechanism of Action

Action

Reference

DNA cross-linking agent

CROSS-LINKING AGENT

PubMed PubMed PubMed

Resources	Reference
ChEMBL	CHEMBL2103844
FDA SRS	P0R64C4CR9
PubChem	9937618
SureChEMBL	SCHEMBL5172928

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

PIXANTRONE DIMALEATE

Structure

Physicochemical Descriptors

Pharmacology

Cross References