THENALIDINE

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Search structure


Synonyms	Thenaldine Thenalidine Thenophenopiperidine
Status
Molecule Category	Free-form
ATC	D04AA03 R06AX03
UNII	6U94N2D00F
EPA CompTox	DTXSID1048835

Structure


InChI Key	KLOHYVOVXOUKQI-UHFFFAOYSA-N
Smiles	CN1CCC(N(Cc2cccs2)c2ccccc2)CC1
InChI	InChI=1S/C17H22N2S/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15/h2-8,13,16H,9-12,14H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H22N2S
Molecular Weight	286.44
AlogP	3.85
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	6.48
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	20.0

Pharmacology

Mechanism of Action	Action	Reference
Histamine H1 receptor antagonist	ANTAGONIST	PubMed PubMed PubMed PubMed

Target Conservation


Protein: Histamine H1 receptor Description: Histamine H1 receptor Organism : Homo sapiens P35367 ENSG00000196639

Cross References

Resources	Reference
ChEBI	135187
ChEMBL	CHEMBL2105458
DrugBank	DB04826
DrugCentral	2617
FDA SRS	6U94N2D00F
PubChem	27901
SureChEMBL	SCHEMBL29498
ZINC	ZINC000000002146

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