DOTHIEPIN

/static/temp/default.svg

Search structure


Synonyms	Dosulepin Dothiepin Dothirpin
Status
Molecule Category	Free-form
UNII	W13O82Z7HL
EPA CompTox	DTXSID30873547

Structure


InChI Key	PHTUQLWOUWZIMZ-GZTJUZNOSA-N
Smiles	CN(C)CC/C=C1\c2ccccc2CSc2ccccc21
InChI	InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H21NS
Molecular Weight	295.45
AlogP	4.68
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	3.24
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	21.0

Pharmacology

Mechanism of Action	Action	Reference
Norepinephrine transporter inhibitor	INHIBITOR	Other

Target Conservation


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











Protein: Serotonin transporter Description: Sodium-dependent serotonin transporter Organism : Homo sapiens P31645 ENSG00000108576

Cross References

Resources	Reference
ChEBI	36803
ChEMBL	CHEMBL1492500
DrugBank	DB09167
DrugCentral	951
FDA SRS	W13O82Z7HL
SureChEMBL	SCHEMBL684145
ZINC	ZINC000000020249

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...

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

Last update: Monday, 3 November 2025