EcoDrugPlus


Synonyms	BBR 2778 BBR-2778 Pixantrone
Status
Molecule Category	Free-form
ATC	L01DB11
UNII	F5SXN2KNMR
EPA CompTox	DTXSID10162744

Synonyms

BBR 2778

BBR-2778

Pixantrone

Status

Molecule Category

Free-form

ATC

L01DB11

UNII

F5SXN2KNMR

EPA CompTox

DTXSID10162744


InChI Key	PEZPMAYDXJQYRV-UHFFFAOYSA-N
Smiles	NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O
InChI	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

Smiles

NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O

InChI

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

Property Name	Value
Molecular Formula	C17H19N5O2
Molecular Weight	325.37
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

C17H19N5O2

Molecular Weight

325.37

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

Mechanism of Action

Action

Reference

DNA cross-linking agent

CROSS-LINKING AGENT

PubMed PubMed

Resources	Reference
ChEBI	135945
ChEMBL	CHEMBL167731
DrugBank	DB06193
DrugCentral	4330
FDA SRS	F5SXN2KNMR
Guide to Pharmacology	7544
PubChem	134019
SureChEMBL	SCHEMBL7825
ZINC	ZINC000001535903

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Guide to Pharmacology

PubChem

SureChEMBL

ZINC

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

Structure

Physicochemical Descriptors

Pharmacology

Cross References