EcoDrugPlus


Synonyms	Bisantrene NSC-337766
Status
Molecule Category	Free-form
UNII	39C34M111K

Synonyms

Bisantrene

NSC-337766

Status

Molecule Category

Free-form

UNII

39C34M111K


InChI Key	NJSMWLQOCQIOPE-OCHFTUDZSA-N
Smiles	C(=N/NC1=NCCN1)\c1c2ccccc2c(/C=N/NC2=NCCN2)c2ccccc12
InChI	InChI=1S/C22H22N8/c1-2-6-16-15(5-1)19(13-27-29-21-23-9-10-24-21)17-7-3-4-8-18(17)20(16)14-28-30-22-25-11-12-26-22/h1-8,13-14H,9-12H2,(H2,23,24,29)(H2,25,26,30)/b27-13+,28-14+

InChI Key

NJSMWLQOCQIOPE-OCHFTUDZSA-N

Smiles

C(=N/NC1=NCCN1)\c1c2ccccc2c(/C=N/NC2=NCCN2)c2ccccc12

InChI

InChI=1S/C22H22N8/c1-2-6-16-15(5-1)19(13-27-29-21-23-9-10-24-21)17-7-3-4-8-18(17)20(16)14-28-30-22-25-11-12-26-22/h1-8,13-14H,9-12H2,(H2,23,24,29)(H2,25,26,30)/b27-13+,28-14+

Property Name	Value
Molecular Formula	C22H22N8
Molecular Weight	398.47
AlogP	1.76
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	97.56
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C22H22N8

Molecular Weight

398.47

AlogP

1.76

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

97.56

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

30.0

Mechanism of Action	Action	Reference
Alpha-ketoglutarate-dependent dioxygenase FTO inhibitor	INHIBITOR	PubMed

Mechanism of Action

Action

Reference

Alpha-ketoglutarate-dependent dioxygenase FTO inhibitor

INHIBITOR

PubMed

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	17-790	-	-	0-97.7
Mus musculus	-	49	-	-	0-96.1

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

17-790

0-97.7

Mus musculus

0-96.1

Resources	Reference
ChEMBL	CHEMBL25336
DrugCentral	376
FDA SRS	39C34M111K
PubChem	5351322
SureChEMBL	SCHEMBL7207049
ZINC	ZINC000001577736

Resources

Reference

ChEMBL

DrugCentral

FDA SRS

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

BISANTRENE

Structure

Physicochemical Descriptors

Pharmacology

Cross References