DEBRISOQUIN

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Search structure


Synonyms	Debrisoquine
Status
Molecule Category	Free-form
UNII	X31CDK040E
EPA CompTox	DTXSID7022885

Structure


InChI Key	JWPGJSVJDAJRLW-UHFFFAOYSA-N
Smiles	N=C(N)N1CCc2ccccc2C1
InChI	InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C10H13N3
Molecular Weight	175.24
AlogP	0.94
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Polar Surface Area	53.11
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	13.0

Pharmacology

Mechanism of Action	Action	Reference
Norepinephrine transporter inhibitor	INHIBITOR	PubMed PubMed PubMed PubMed PubMed PubMed

Target Conservation


Protein: Norepinephrine transporter Description: Sodium-dependent noradrenaline transporter Organism : Homo sapiens P23975 ENSG00000103546

Cross References

Resources	Reference
ChEBI	34665
ChEMBL	CHEMBL169901
DrugBank	DB04840
DrugCentral	788
FDA SRS	X31CDK040E
Human Metabolome Database	HMDB0006543
KEGG	C13650
PharmGKB	PA452616
SureChEMBL	SCHEMBL309184
ZINC	ZINC000003594299

CONTENTS

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...

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Last update: Monday, 3 November 2025